(3R)-N-(3-cyclopentylsulfonylphenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide

C21H31N3O3S — CID 52518848

IUPAC(3R)-N-(3-cyclopentylsulfonylphenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)N1CCC[C@@H](N2CCCC2)C1
InChIInChI=1S/C21H31N3O3S/c25-21(24-14-6-8-18(16-24)23-12-3-4-13-23)22-17-7-5-11-20(15-17)28(26,27)19-9-1-2-10-19/h5,7,11,15,18-19H,1-4,6,8-10,12-14,16H2,(H,22,25)/t18-/m1/s1
InChIKeyRNIBFJNPVVQZCL-GOSISDBHSA-N
MW405.56 g/mol
LogP3.49
Rot. Bonds4

About (3R)-N-(3-cyclopentylsulfonylphenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide

(3R)-N-(3-cyclopentylsulfonylphenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide (PubChem CID 52518848) has the molecular formula C21H31N3O3S and a molecular weight of 405.56 g/mol. Its IUPAC name is (3R)-N-(3-cyclopentylsulfonylphenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-cyclopentylsulfonylphenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
PubChem CID52518848
Molecular FormulaC21H31N3O3S
Molecular Weight405.56 g/mol
Exact Mass405.21
IUPAC Name(3R)-N-(3-cyclopentylsulfonylphenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)N1CCC[C@@H](N2CCCC2)C1
InChIInChI=1S/C21H31N3O3S/c25-21(24-14-6-8-18(16-24)23-12-3-4-13-23)22-17-7-5-11-20(15-17)28(26,27)19-9-1-2-10-19/h5,7,11,15,18-19H,1-4,6,8-10,12-14,16H2,(H,22,25)/t18-/m1/s1
InChIKeyRNIBFJNPVVQZCL-GOSISDBHSA-N
XLogP3.49
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.56
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-N-(3-cyclopentylsulfonylphenyl)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95784332
(3R)-N-(3-cyclopentylsulfonylphenyl)-3-(1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 95268330
N-(3,4-difluorophenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 146121673
N-pyridin-3-yl-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47050086
3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide
CID 47185999
(3S)-3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide
CID 38150508
(3R)-N-(3-acetylphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide
CID 29022203
N-(3-cyclopentylsulfonylphenyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 55612889
N-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 56796288
N-[3-(cyclopropylcarbamoyl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 154742561
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47049742
methyl N-[4-[[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]amino]phenyl]carbamate
CID 99808497

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-cyclopentylsulfonylphenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
The IUPAC name of (3R)-N-(3-cyclopentylsulfonylphenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide (CID 52518848) is (3R)-N-(3-cyclopentylsulfonylphenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(3-cyclopentylsulfonylphenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(3-cyclopentylsulfonylphenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide is O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)N1CCC[C@@H](N2CCCC2)C1.
What is the InChIKey of (3R)-N-(3-cyclopentylsulfonylphenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
The InChIKey is RNIBFJNPVVQZCL-GOSISDBHSA-N. The full InChI is InChI=1S/C21H31N3O3S/c25-21(24-14-6-8-18(16-24)23-12-3-4-13-23)22-17-7-5-11-20(15-17)28(26,27)19-9-1-2-10-19/h5,7,11,15,18-19H,1-4,6,8-10,12-14,16H2,(H,22,25)/t18-/m1/s1.
What are the key properties of (3R)-N-(3-cyclopentylsulfonylphenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
(3R)-N-(3-cyclopentylsulfonylphenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide has a molecular weight of 405.56 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-cyclopentylsulfonylphenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 52518848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).