(3R)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide

C13H17ClN2O3S — CID 92641842

IUPAC(3R)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H17ClN2O3S/c14-12-5-3-10(4-6-12)9-20(18,19)16-7-1-2-11(8-16)13(15)17/h3-6,11H,1-2,7-9H2,(H2,15,17)/t11-/m1/s1
InChIKeyYHHCAZHLXMSIAM-LLVKDONJSA-N
MW316.81 g/mol
LogP1.37
Rot. Bonds4

About (3R)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide

(3R)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide (PubChem CID 92641842) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is (3R)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide
PubChem CID92641842
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name(3R)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H17ClN2O3S/c14-12-5-3-10(4-6-12)9-20(18,19)16-7-1-2-11(8-16)13(15)17/h3-6,11H,1-2,7-9H2,(H2,15,17)/t11-/m1/s1
InChIKeyYHHCAZHLXMSIAM-LLVKDONJSA-N
XLogP1.37
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methylsulfonyl]-N-ethylpiperidine-3-carboxamide
CID 53289476
[1-[(4-chlorophenyl)methylsulfonyl]piperidin-3-yl]-(4-fluorophenyl)methanone
CID 110394846
1-[(4-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 50810963
(3S)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 92641894
(3S)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641906
1-[(4-chlorophenyl)methylsulfonyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 50810945
[1-[(4-chlorophenyl)methylsulfonyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 50810986
(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 95875436
1-[(4-chlorophenyl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
CID 53289497
1-benzylsulfonylpiperidine-3-carboxylic acid
CID 16773365
(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 92641975
(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 92642013

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide (CID 92641842) is (3R)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide is NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1.
What is the InChIKey of (3R)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide?
The InChIKey is YHHCAZHLXMSIAM-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c14-12-5-3-10(4-6-12)9-20(18,19)16-7-1-2-11(8-16)13(15)17/h3-6,11H,1-2,7-9H2,(H2,15,17)/t11-/m1/s1.
What are the key properties of (3R)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide?
(3R)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide has a molecular weight of 316.81 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 92641842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).