4-benzyl-1-[(2-piperidin-1-ylphenyl)methyl]piperazine-2-carboxamide

C24H32N4O — CID 110149681

IUPAC4-benzyl-1-[(2-piperidin-1-ylphenyl)methyl]piperazine-2-carboxamide
SMILESNC(=O)C1CN(Cc2ccccc2)CCN1Cc1ccccc1N1CCCCC1
InChIInChI=1S/C24H32N4O/c25-24(29)23-19-26(17-20-9-3-1-4-10-20)15-16-28(23)18-21-11-5-6-12-22(21)27-13-7-2-8-14-27/h1,3-6,9-12,23H,2,7-8,13-19H2,(H2,25,29)
InChIKeyMDFUFAFYDMGPLM-UHFFFAOYSA-N
MW392.55 g/mol
LogP2.85
Rot. Bonds6

About 4-benzyl-1-[(2-piperidin-1-ylphenyl)methyl]piperazine-2-carboxamide

4-benzyl-1-[(2-piperidin-1-ylphenyl)methyl]piperazine-2-carboxamide (PubChem CID 110149681) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is 4-benzyl-1-[(2-piperidin-1-ylphenyl)methyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name4-benzyl-1-[(2-piperidin-1-ylphenyl)methyl]piperazine-2-carboxamide
PubChem CID110149681
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name4-benzyl-1-[(2-piperidin-1-ylphenyl)methyl]piperazine-2-carboxamide
SMILESNC(=O)C1CN(Cc2ccccc2)CCN1Cc1ccccc1N1CCCCC1
InChIInChI=1S/C24H32N4O/c25-24(29)23-19-26(17-20-9-3-1-4-10-20)15-16-28(23)18-21-11-5-6-12-22(21)27-13-7-2-8-14-27/h1,3-6,9-12,23H,2,7-8,13-19H2,(H2,25,29)
InChIKeyMDFUFAFYDMGPLM-UHFFFAOYSA-N
XLogP2.85
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dibenzylpiperazine-2-carboxamide
CID 11392722
(2S)-4-benzyl-1-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]piperazine-2-carboxamide
CID 125009473
(2S)-1-acetyl-4-benzylpiperazine-2-carboxamide
CID 95811257
1-acetyl-4-benzylpiperazine-2-carboxamide
CID 110250206
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985
[2-(4-benzylpiperazin-1-yl)phenyl]methanol
CID 2741998
1-[2-[(cyclopropylamino)methyl]phenyl]piperidine-3-carboxamide
CID 43280219
(2R)-4-benzyl-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-2-carboxamide
CID 124957917
4-benzyl-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-2-carboxamide
CID 110122356
(Z)-3-[2-(4-benzylpiperazin-1-yl)phenyl]prop-2-enamide
CID 170876705
1-benzylazetidine;1-benzylazetidine-3-carboxylic acid
CID 161198562
1-benzyl-3-hydroxypiperidine-4-carboxamide
CID 146447166

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[(2-piperidin-1-ylphenyl)methyl]piperazine-2-carboxamide?
The IUPAC name of 4-benzyl-1-[(2-piperidin-1-ylphenyl)methyl]piperazine-2-carboxamide (CID 110149681) is 4-benzyl-1-[(2-piperidin-1-ylphenyl)methyl]piperazine-2-carboxamide.
What is the SMILES notation for 4-benzyl-1-[(2-piperidin-1-ylphenyl)methyl]piperazine-2-carboxamide?
The canonical SMILES for 4-benzyl-1-[(2-piperidin-1-ylphenyl)methyl]piperazine-2-carboxamide is NC(=O)C1CN(Cc2ccccc2)CCN1Cc1ccccc1N1CCCCC1.
What is the InChIKey of 4-benzyl-1-[(2-piperidin-1-ylphenyl)methyl]piperazine-2-carboxamide?
The InChIKey is MDFUFAFYDMGPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c25-24(29)23-19-26(17-20-9-3-1-4-10-20)15-16-28(23)18-21-11-5-6-12-22(21)27-13-7-2-8-14-27/h1,3-6,9-12,23H,2,7-8,13-19H2,(H2,25,29).
What are the key properties of 4-benzyl-1-[(2-piperidin-1-ylphenyl)methyl]piperazine-2-carboxamide?
4-benzyl-1-[(2-piperidin-1-ylphenyl)methyl]piperazine-2-carboxamide has a molecular weight of 392.55 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[(2-piperidin-1-ylphenyl)methyl]piperazine-2-carboxamide is sourced from PubChem (CID 110149681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).