(3S)-N-phenyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide

C22H28N4O3S — CID 51927781

IUPAC(3S)-N-phenyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)[C@H]1CCCN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)C1
InChIInChI=1S/C22H28N4O3S/c27-22(24-19-9-3-1-4-10-19)18-8-7-13-25(17-18)21-12-11-20(16-23-21)30(28,29)26-14-5-2-6-15-26/h1,3-4,9-12,16,18H,2,5-8,13-15,17H2,(H,24,27)/t18-/m0/s1
InChIKeyLBLRMVWJFWASFX-SFHVURJKSA-N
MW428.56 g/mol
LogP3.11
Rot. Bonds5

About (3S)-N-phenyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide

(3S)-N-phenyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 51927781) has the molecular formula C22H28N4O3S and a molecular weight of 428.56 g/mol. Its IUPAC name is (3S)-N-phenyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-phenyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID51927781
Molecular FormulaC22H28N4O3S
Molecular Weight428.56 g/mol
Exact Mass428.19
IUPAC Name(3S)-N-phenyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)[C@H]1CCCN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)C1
InChIInChI=1S/C22H28N4O3S/c27-22(24-19-9-3-1-4-10-19)18-8-7-13-25(17-18)21-12-11-20(16-23-21)30(28,29)26-14-5-2-6-15-26/h1,3-4,9-12,16,18H,2,5-8,13-15,17H2,(H,24,27)/t18-/m0/s1
InChIKeyLBLRMVWJFWASFX-SFHVURJKSA-N
XLogP3.11
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-phenyl-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide
CID 51927782
N-phenyl-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 50769456
1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid
CID 122064558
(3S)-1-(5-cyano-2-pyridinyl)-N-phenylpiperidine-3-carboxamide
CID 51928820
(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
1-(4-methoxyphenyl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide
CID 24601879
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
N-(3-chlorophenyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 50806788
(2S)-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 122059848

Frequently Asked Questions

What is the IUPAC name of (3S)-N-phenyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-phenyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide (CID 51927781) is (3S)-N-phenyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-phenyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-phenyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide is O=C(Nc1ccccc1)[C@H]1CCCN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)C1.
What is the InChIKey of (3S)-N-phenyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is LBLRMVWJFWASFX-SFHVURJKSA-N. The full InChI is InChI=1S/C22H28N4O3S/c27-22(24-19-9-3-1-4-10-19)18-8-7-13-25(17-18)21-12-11-20(16-23-21)30(28,29)26-14-5-2-6-15-26/h1,3-4,9-12,16,18H,2,5-8,13-15,17H2,(H,24,27)/t18-/m0/s1.
What are the key properties of (3S)-N-phenyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide?
(3S)-N-phenyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 428.56 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-phenyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 51927781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).