(3R)-N-phenyl-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide

C21H26N4O3S — CID 51927782

IUPAC(3R)-N-phenyl-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CCCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)C1
InChIInChI=1S/C21H26N4O3S/c26-21(23-18-8-2-1-3-9-18)17-7-6-12-24(16-17)20-11-10-19(15-22-20)29(27,28)25-13-4-5-14-25/h1-3,8-11,15,17H,4-7,12-14,16H2,(H,23,26)/t17-/m1/s1
InChIKeyKSIHOHQCPUTUSB-QGZVFWFLSA-N
MW414.53 g/mol
LogP2.72
Rot. Bonds5

About (3R)-N-phenyl-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide

(3R)-N-phenyl-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 51927782) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is (3R)-N-phenyl-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-phenyl-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID51927782
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC Name(3R)-N-phenyl-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CCCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)C1
InChIInChI=1S/C21H26N4O3S/c26-21(23-18-8-2-1-3-9-18)17-7-6-12-24(16-17)20-11-10-19(15-22-20)29(27,28)25-13-4-5-14-25/h1-3,8-11,15,17H,4-7,12-14,16H2,(H,23,26)/t17-/m1/s1
InChIKeyKSIHOHQCPUTUSB-QGZVFWFLSA-N
XLogP2.72
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-phenyl-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-phenyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide
CID 51927781
N-phenyl-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 50769456
(3S)-1-(5-cyano-2-pyridinyl)-N-phenylpiperidine-3-carboxamide
CID 51928820
1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid
CID 122064558
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
(3R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37025382
cyclopentyl-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
CID 36727474
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
(3S)-N-(4-chlorophenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92893334
1-(4-methoxyphenyl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide
CID 24601879
N-(3-chlorophenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 50806788
1-pyridin-3-ylsulfonyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide
CID 38882424

Frequently Asked Questions

What is the IUPAC name of (3R)-N-phenyl-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-phenyl-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide (CID 51927782) is (3R)-N-phenyl-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-phenyl-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-phenyl-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide is O=C(Nc1ccccc1)[C@@H]1CCCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)C1.
What is the InChIKey of (3R)-N-phenyl-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is KSIHOHQCPUTUSB-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N4O3S/c26-21(23-18-8-2-1-3-9-18)17-7-6-12-24(16-17)20-11-10-19(15-22-20)29(27,28)25-13-4-5-14-25/h1-3,8-11,15,17H,4-7,12-14,16H2,(H,23,26)/t17-/m1/s1.
What are the key properties of (3R)-N-phenyl-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide?
(3R)-N-phenyl-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 414.53 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-phenyl-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 51927782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).