1-N-benzylpiperazine-1,2-dicarboxamide

C13H18N4O2 — CID 107654160

IUPAC1-N-benzylpiperazine-1,2-dicarboxamide
SMILESNC(=O)C1CNCCN1C(=O)NCc1ccccc1
InChIInChI=1S/C13H18N4O2/c14-12(18)11-9-15-6-7-17(11)13(19)16-8-10-4-2-1-3-5-10/h1-5,11,15H,6-9H2,(H2,14,18)(H,16,19)
InChIKeyOMNQOUSFLGBFKS-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.34
Rot. Bonds3

About 1-N-benzylpiperazine-1,2-dicarboxamide

1-N-benzylpiperazine-1,2-dicarboxamide (PubChem CID 107654160) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-N-benzylpiperazine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-benzylpiperazine-1,2-dicarboxamide
PubChem CID107654160
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name1-N-benzylpiperazine-1,2-dicarboxamide
SMILESNC(=O)C1CNCCN1C(=O)NCc1ccccc1
InChIInChI=1S/C13H18N4O2/c14-12(18)11-9-15-6-7-17(11)13(19)16-8-10-4-2-1-3-5-10/h1-5,11,15H,6-9H2,(H2,14,18)(H,16,19)
InChIKeyOMNQOUSFLGBFKS-UHFFFAOYSA-N
XLogP-0.34
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-6-hydroxy-1,4-diazepane-1-carboxamide
CID 74251214
(2R)-1-(2-phenylethyl)piperazine-2-carboxamide
CID 95804026
1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate
CID 14751355
N-benzyl-2-carbamimidoylpyrrolidine-1-carboxamide
CID 107654638
1-(2,3-dihydro-1H-indene-2-carbonyl)piperazine-2-carboxamide
CID 106893368
3-[[(2-carbamoylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 61200147
1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 47085421
(2S)-1-N-benzyl-2,3-dihydroindole-1,2-dicarboxamide
CID 41429200
2-(pyridin-3-ylmethylcarbamoyl)piperazine-1-carboxylic acid
CID 118137995
(2S)-1-acetyl-N-(2-phenylethyl)piperazine-2-carboxamide
CID 124958895
(2S)-1-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468512
4-[[[2-(3-chlorophenyl)piperazine-1-carbonyl]amino]methyl]benzoic acid;hydrochloride
CID 134584435

Frequently Asked Questions

What is the IUPAC name of 1-N-benzylpiperazine-1,2-dicarboxamide?
The IUPAC name of 1-N-benzylpiperazine-1,2-dicarboxamide (CID 107654160) is 1-N-benzylpiperazine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-benzylpiperazine-1,2-dicarboxamide?
The canonical SMILES for 1-N-benzylpiperazine-1,2-dicarboxamide is NC(=O)C1CNCCN1C(=O)NCc1ccccc1.
What is the InChIKey of 1-N-benzylpiperazine-1,2-dicarboxamide?
The InChIKey is OMNQOUSFLGBFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c14-12(18)11-9-15-6-7-17(11)13(19)16-8-10-4-2-1-3-5-10/h1-5,11,15H,6-9H2,(H2,14,18)(H,16,19).
What are the key properties of 1-N-benzylpiperazine-1,2-dicarboxamide?
1-N-benzylpiperazine-1,2-dicarboxamide has a molecular weight of 262.31 g/mol, XLogP of -0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzylpiperazine-1,2-dicarboxamide is sourced from PubChem (CID 107654160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).