(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C19H22ClN3O3S — CID 92641975

IUPAC(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccn1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H22ClN3O3S/c20-17-8-6-15(7-9-17)14-27(25,26)23-11-3-4-16(13-23)19(24)22-12-18-5-1-2-10-21-18/h1-2,5-10,16H,3-4,11-14H2,(H,22,24)/t16-/m1/s1
InChIKeyWLHNHXGMRQEJDU-MRXNPFEDSA-N
MW407.92 g/mol
LogP2.59
Rot. Bonds6

About (3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 92641975) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is (3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID92641975
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC Name(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccn1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H22ClN3O3S/c20-17-8-6-15(7-9-17)14-27(25,26)23-11-3-4-16(13-23)19(24)22-12-18-5-1-2-10-21-18/h1-2,5-10,16H,3-4,11-14H2,(H,22,24)/t16-/m1/s1
InChIKeyWLHNHXGMRQEJDU-MRXNPFEDSA-N
XLogP2.59
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 27245318
(3R)-1-benzylsulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 1445005
1-propylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 4532780
1-(2-methoxyethylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110335855
1-[(4-chlorophenyl)methylsulfonyl]-N-ethylpiperidine-3-carboxamide
CID 53289476
1-[(4-methylphenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 46265556
(3R)-1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 1445009
1-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 2969235
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 15996427
(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 95875436
(3R)-1-(4-acetamidophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 41009115
(3R)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641842

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 92641975) is (3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is O=C(NCc1ccccn1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1.
What is the InChIKey of (3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is WLHNHXGMRQEJDU-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c20-17-8-6-15(7-9-17)14-27(25,26)23-11-3-4-16(13-23)19(24)22-12-18-5-1-2-10-21-18/h1-2,5-10,16H,3-4,11-14H2,(H,22,24)/t16-/m1/s1.
What are the key properties of (3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 407.92 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 92641975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).