4-cyano-N-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylpiperidine-1-carboxamide

C17H20N4O2 — CID 125442068

IUPAC4-cyano-N-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylpiperidine-1-carboxamide
SMILESN#CC1(c2ccccc2)CCN(C(=O)N[C@H]2CCNC2=O)CC1
InChIInChI=1S/C17H20N4O2/c18-12-17(13-4-2-1-3-5-13)7-10-21(11-8-17)16(23)20-14-6-9-19-15(14)22/h1-5,14H,6-11H2,(H,19,22)(H,20,23)/t14-/m0/s1
InChIKeyIOPGWRJFGZQXTN-AWEZNQCLSA-N
MW312.37 g/mol
LogP1.14
Rot. Bonds2

About 4-cyano-N-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylpiperidine-1-carboxamide

4-cyano-N-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylpiperidine-1-carboxamide (PubChem CID 125442068) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-cyano-N-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylpiperidine-1-carboxamide
PubChem CID125442068
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name4-cyano-N-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylpiperidine-1-carboxamide
SMILESN#CC1(c2ccccc2)CCN(C(=O)N[C@H]2CCNC2=O)CC1
InChIInChI=1S/C17H20N4O2/c18-12-17(13-4-2-1-3-5-13)7-10-21(11-8-17)16(23)20-14-6-9-19-15(14)22/h1-5,14H,6-11H2,(H,19,22)(H,20,23)/t14-/m0/s1
InChIKeyIOPGWRJFGZQXTN-AWEZNQCLSA-N
XLogP1.14
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carbonitrile
CID 110711530
4-cyano-N-(2-fluorophenyl)-4-phenylpiperidine-1-carboxamide
CID 3249682
4-cyano-N-(2-methylphenyl)-4-phenylpiperidine-1-carboxamide
CID 3864975
4-cyano-N-(2-ethylphenyl)-4-phenylpiperidine-1-carboxamide
CID 3861868
4-cyano-N-naphthalen-1-yl-4-phenylpiperidine-1-carboxamide
CID 4576172
4-cyano-N-(2-methylsulfanylphenyl)-4-phenylpiperidine-1-carboxamide
CID 3488591
4-cyano-N-(3-iodophenyl)-4-phenylpiperidine-1-carboxamide
CID 3717988
4-N-[(2-chlorophenyl)methyl]-1-N-(2-oxopyrrolidin-3-yl)piperidine-1,4-dicarboxamide
CID 122558552
4-cyano-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-phenylpiperidine-1-carboxamide
CID 126451846
4-phenyl-1-piperidin-4-ylpiperidine-4-carbonitrile
CID 22993489
1-(2-ethylbutanoyl)-4-phenylpiperidine-4-carbonitrile
CID 110711531
N-(4-bromo-2-methylphenyl)-4-cyano-4-phenylpiperidine-1-carboxamide
CID 3822406

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-cyano-N-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylpiperidine-1-carboxamide (CID 125442068) is 4-cyano-N-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-cyano-N-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-cyano-N-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylpiperidine-1-carboxamide is N#CC1(c2ccccc2)CCN(C(=O)N[C@H]2CCNC2=O)CC1.
What is the InChIKey of 4-cyano-N-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylpiperidine-1-carboxamide?
The InChIKey is IOPGWRJFGZQXTN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N4O2/c18-12-17(13-4-2-1-3-5-13)7-10-21(11-8-17)16(23)20-14-6-9-19-15(14)22/h1-5,14H,6-11H2,(H,19,22)(H,20,23)/t14-/m0/s1.
What are the key properties of 4-cyano-N-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylpiperidine-1-carboxamide?
4-cyano-N-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylpiperidine-1-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 125442068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).