1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide

C18H26N2O2 — CID 41024910

IUPAC1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
SMILESCCC[C@H](C)NC(=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H26N2O2/c1-3-7-14(2)19-17(21)15-10-12-20(13-11-15)18(22)16-8-5-4-6-9-16/h4-6,8-9,14-15H,3,7,10-13H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyGTOIOYDKOPGPSH-AWEZNQCLSA-N
MW302.42 g/mol
LogP2.84
Rot. Bonds5

About 1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide

1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide (PubChem CID 41024910) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
PubChem CID41024910
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
SMILESCCC[C@H](C)NC(=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H26N2O2/c1-3-7-14(2)19-17(21)15-10-12-20(13-11-15)18(22)16-8-5-4-6-9-16/h4-6,8-9,14-15H,3,7,10-13H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyGTOIOYDKOPGPSH-AWEZNQCLSA-N
XLogP2.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzoyl-N-pentan-3-ylpiperidine-4-carboxamide
CID 17018973
(2S)-2-[(1-benzoylpiperidine-4-carbonyl)amino]propanoic acid
CID 119238348
1-benzoyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide
CID 120830387
N-butan-2-yl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113002848
N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992604
(2R)-2-[(1-benzoylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid
CID 119367535
N-[(2R)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992601
1-benzoyl-N-(2-butan-2-ylphenyl)piperidine-4-carboxamide
CID 17018975
1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 46384509
1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004083
(E)-2-[(1-benzoylpiperidine-4-carbonyl)amino]hex-4-enoic acid
CID 120692929
N-butan-2-yl-1-(2,2-diphenylacetyl)piperidine-4-carboxamide
CID 113002830

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide (CID 41024910) is 1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide is CCC[C@H](C)NC(=O)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide?
The InChIKey is GTOIOYDKOPGPSH-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-7-14(2)19-17(21)15-10-12-20(13-11-15)18(22)16-8-5-4-6-9-16/h4-6,8-9,14-15H,3,7,10-13H2,1-2H3,(H,19,21)/t14-/m0/s1.
What are the key properties of 1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide?
1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 41024910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).