1-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide

C24H35N3O2 — CID 94420345

IUPAC1-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)CN2CCC[C@H]2C2CCCCC2)CC1
InChIInChI=1S/C24H35N3O2/c28-23(18-27-15-7-12-22(27)19-8-3-1-4-9-19)26-16-13-20(14-17-26)24(29)25-21-10-5-2-6-11-21/h2,5-6,10-11,19-20,22H,1,3-4,7-9,12-18H2,(H,25,29)/t22-/m0/s1
InChIKeyZGDYZSJJNRTHSM-QFIPXVFZSA-N
MW397.56 g/mol
LogP3.91
Rot. Bonds5

About 1-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide

1-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 94420345) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is 1-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide
PubChem CID94420345
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name1-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)CN2CCC[C@H]2C2CCCCC2)CC1
InChIInChI=1S/C24H35N3O2/c28-23(18-27-15-7-12-22(27)19-8-3-1-4-9-19)26-16-13-20(14-17-26)24(29)25-21-10-5-2-6-11-21/h2,5-6,10-11,19-20,22H,1,3-4,7-9,12-18H2,(H,25,29)/t22-/m0/s1
InChIKeyZGDYZSJJNRTHSM-QFIPXVFZSA-N
XLogP3.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-oxoazepan-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 55408311
1-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide
CID 55739312
1-[2-(1-hydroxycyclohexyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 111331775
1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 51284859
1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
1-[2-(cyclohexylamino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134327
N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide
CID 17409720
1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462642
1-[3-(2-chlorophenyl)propanoyl]-N-phenylpiperidine-4-carboxamide
CID 34081968
1-[2-(2-oxoquinoxalin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462621
1-[2-(methylamino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 78817800

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide (CID 94420345) is 1-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(C(=O)CN2CCC[C@H]2C2CCCCC2)CC1.
What is the InChIKey of 1-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is ZGDYZSJJNRTHSM-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H35N3O2/c28-23(18-27-15-7-12-22(27)19-8-3-1-4-9-19)26-16-13-20(14-17-26)24(29)25-21-10-5-2-6-11-21/h2,5-6,10-11,19-20,22H,1,3-4,7-9,12-18H2,(H,25,29)/t22-/m0/s1.
What are the key properties of 1-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide?
1-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 397.56 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 94420345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).