(3S,4R)-N-[1-(4-cyanophenyl)piperidin-4-yl]-4-phenylpyrrolidine-3-carboxamide

C23H26N4O — CID 156839415

IUPAC(3S,4R)-N-[1-(4-cyanophenyl)piperidin-4-yl]-4-phenylpyrrolidine-3-carboxamide
SMILESN#Cc1ccc(N2CCC(NC(=O)[C@@H]3CNC[C@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C23H26N4O/c24-14-17-6-8-20(9-7-17)27-12-10-19(11-13-27)26-23(28)22-16-25-15-21(22)18-4-2-1-3-5-18/h1-9,19,21-22,25H,10-13,15-16H2,(H,26,28)/t21-,22+/m0/s1
InChIKeyMMZCMIHXNPYKQV-FCHUYYIVSA-N
MW374.49 g/mol
LogP2.65
Rot. Bonds4

About (3S,4R)-N-[1-(4-cyanophenyl)piperidin-4-yl]-4-phenylpyrrolidine-3-carboxamide

(3S,4R)-N-[1-(4-cyanophenyl)piperidin-4-yl]-4-phenylpyrrolidine-3-carboxamide (PubChem CID 156839415) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is (3S,4R)-N-[1-(4-cyanophenyl)piperidin-4-yl]-4-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4R)-N-[1-(4-cyanophenyl)piperidin-4-yl]-4-phenylpyrrolidine-3-carboxamide
PubChem CID156839415
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name(3S,4R)-N-[1-(4-cyanophenyl)piperidin-4-yl]-4-phenylpyrrolidine-3-carboxamide
SMILESN#Cc1ccc(N2CCC(NC(=O)[C@@H]3CNC[C@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C23H26N4O/c24-14-17-6-8-20(9-7-17)27-12-10-19(11-13-27)26-23(28)22-16-25-15-21(22)18-4-2-1-3-5-18/h1-9,19,21-22,25H,10-13,15-16H2,(H,26,28)/t21-,22+/m0/s1
InChIKeyMMZCMIHXNPYKQV-FCHUYYIVSA-N
XLogP2.65
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-N-(4-hydroxycyclohexyl)-4-phenylpyrrolidine-3-carboxamide
CID 156839533
4-(4-cyanophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 53398339
cis-(1S,2R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 95774790
methyl 4-[[1-(4-cyanophenyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylate
CID 19391665
1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea
CID 86880901
(3S,4R)-N-(4-cyanophenyl)-4-phenyl-N-piperidin-4-ylpyrrolidine-3-carboxamide;dihydrochloride
CID 166790352
N-[2-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-2-oxo-1-phenylethyl]-3-methylbutanamide
CID 86883811
N-[1-(4-cyanophenyl)piperidin-4-yl]-4,4,4-trifluoro-3-phenylbutanamide
CID 86888022
1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 86869214
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide
CID 120941945
1-[1-(4-cyanophenyl)piperidin-4-yl]-3-(3-hydroxybutyl)urea
CID 111337334
1-[(1S,2R)-2-phenylcyclopropyl]-3-(1-phenylpiperidin-4-yl)urea
CID 51050042

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-[1-(4-cyanophenyl)piperidin-4-yl]-4-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4R)-N-[1-(4-cyanophenyl)piperidin-4-yl]-4-phenylpyrrolidine-3-carboxamide (CID 156839415) is (3S,4R)-N-[1-(4-cyanophenyl)piperidin-4-yl]-4-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4R)-N-[1-(4-cyanophenyl)piperidin-4-yl]-4-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4R)-N-[1-(4-cyanophenyl)piperidin-4-yl]-4-phenylpyrrolidine-3-carboxamide is N#Cc1ccc(N2CCC(NC(=O)[C@@H]3CNC[C@H]3c3ccccc3)CC2)cc1.
What is the InChIKey of (3S,4R)-N-[1-(4-cyanophenyl)piperidin-4-yl]-4-phenylpyrrolidine-3-carboxamide?
The InChIKey is MMZCMIHXNPYKQV-FCHUYYIVSA-N. The full InChI is InChI=1S/C23H26N4O/c24-14-17-6-8-20(9-7-17)27-12-10-19(11-13-27)26-23(28)22-16-25-15-21(22)18-4-2-1-3-5-18/h1-9,19,21-22,25H,10-13,15-16H2,(H,26,28)/t21-,22+/m0/s1.
What are the key properties of (3S,4R)-N-[1-(4-cyanophenyl)piperidin-4-yl]-4-phenylpyrrolidine-3-carboxamide?
(3S,4R)-N-[1-(4-cyanophenyl)piperidin-4-yl]-4-phenylpyrrolidine-3-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N-[1-(4-cyanophenyl)piperidin-4-yl]-4-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 156839415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).