1-benzyl-N-(1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide

C21H27N3O — CID 138044187

IUPAC1-benzyl-N-(1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide
SMILESCC(Cc1ccncc1)NC(=O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H27N3O/c1-17(15-18-7-11-22-12-8-18)23-21(25)20-9-13-24(14-10-20)16-19-5-3-2-4-6-19/h2-8,11-12,17,20H,9-10,13-16H2,1H3,(H,23,25)
InChIKeyUUSDPRWCGZAMFU-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.04
Rot. Bonds6

About 1-benzyl-N-(1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide

1-benzyl-N-(1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide (PubChem CID 138044187) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-benzyl-N-(1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide
PubChem CID138044187
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name1-benzyl-N-(1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide
SMILESCC(Cc1ccncc1)NC(=O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H27N3O/c1-17(15-18-7-11-22-12-8-18)23-21(25)20-9-13-24(14-10-20)16-19-5-3-2-4-6-19/h2-8,11-12,17,20H,9-10,13-16H2,1H3,(H,23,25)
InChIKeyUUSDPRWCGZAMFU-UHFFFAOYSA-N
XLogP3.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(1-benzylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid
CID 119367273
1-[(3,4-dichlorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 38102463
1-benzyl-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 47072278
1-benzyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;dihydrochloride
CID 120831634
N-[(2S)-1-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 59422599
1-benzyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 94013477
N-(1-methoxypropan-2-yl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 4614545
3-[(1-benzylpiperidine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119219104
1-methyl-N-[1-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide
CID 145353936
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 94024263
2-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylacetic acid
CID 119197415
4-ethyl-N-[(2S)-1-phenylpropan-2-yl]cyclohexane-1-carboxamide
CID 143582759

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-(1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide (CID 138044187) is 1-benzyl-N-(1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide is CC(Cc1ccncc1)NC(=O)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-(1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide?
The InChIKey is UUSDPRWCGZAMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-17(15-18-7-11-22-12-8-18)23-21(25)20-9-13-24(14-10-20)16-19-5-3-2-4-6-19/h2-8,11-12,17,20H,9-10,13-16H2,1H3,(H,23,25).
What are the key properties of 1-benzyl-N-(1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide?
1-benzyl-N-(1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 138044187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).