Piperazine-1-carboxylic acid dimethylamide

C₇H₁₅N₃OCAS 41340-78-7157.22 g/mol

Open in Covalent MOL file

Secondary amine Urea

Properties

Molecular formula: C₇H₁₅N₃O
Molar mass: 157.22 g/mol
Exact mass: 157.1215 Da
logP: -0.43Crippen estimate
Polar surface area: 35.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers
H332 Harmful if inhaled50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501

Identifiers

CAS number

41340-78-7

SMILES

CN(C)C(=O)N1CCNCC1

InChIKey

XMFYMWXCIWIHAC-UHFFFAOYSA-N

InChI

InChI=1S/C7H15N3O/c1-9(2)7(11)10-5-3-8-4-6-10/h8H,3-6H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

n,n-Dimethylpiperazine-1-carboxamide

Work with Piperazine-1-carboxylic acid dimethylamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N,N-Diethyl-1-piperazinecarboxamide119-54-061 % similar 1-Acetylpiperazine13889-98-050 % similar N,N-Dimethyl-2-(piperazin-1-yl)acetamide39890-43-248 % similar Tetramethylurea632-22-448 % similar Methyl piperazine-1-carboxylate50606-31-045 % similar 2-Methyl-1-(piperazin-1-yl)propan-1-one71260-16-745 % similar N-Acetylhomopiperazine61903-11-544 % similar Ethyl 1-piperazinecarboxylate120-43-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook