(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide

C22H27ClN2O3S — CID 92642013

IUPAC(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H27ClN2O3S/c1-16(2)20-7-3-4-8-21(20)24-22(26)18-6-5-13-25(14-18)29(27,28)15-17-9-11-19(23)12-10-17/h3-4,7-12,16,18H,5-6,13-15H2,1-2H3,(H,24,26)/t18-/m1/s1
InChIKeyZZLXABJRHXJCEC-GOSISDBHSA-N
MW434.99 g/mol
LogP4.64
Rot. Bonds6

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

(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide (PubChem CID 92642013) has the molecular formula C22H27ClN2O3S and a molecular weight of 434.99 g/mol. Its IUPAC name is (3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
PubChem CID92642013
Molecular FormulaC22H27ClN2O3S
Molecular Weight434.99 g/mol
Exact Mass434.14
IUPAC Name(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H27ClN2O3S/c1-16(2)20-7-3-4-8-21(20)24-22(26)18-6-5-13-25(14-18)29(27,28)15-17-9-11-19(23)12-10-17/h3-4,7-12,16,18H,5-6,13-15H2,1-2H3,(H,24,26)/t18-/m1/s1
InChIKeyZZLXABJRHXJCEC-GOSISDBHSA-N
XLogP4.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.99
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide
CID 92642030
methyl 2-[[(3S)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carbonyl]amino]benzoate
CID 92641920
1-[(4-chlorophenyl)methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 43923926
(3S)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 92641894
1-[(4-chlorophenyl)methylsulfonyl]-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 133161828
1-[(4-chlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide
CID 53289429
1-[(4-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 50810963
(3S)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 92681982
(3R)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 92681981
1-[(4-chlorophenyl)methylsulfonyl]-N-ethylpiperidine-3-carboxamide
CID 53289476
(3S)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641906
N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 50811103

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide (CID 92642013) is (3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide is CC(C)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1.
What is the InChIKey of (3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide?
The InChIKey is ZZLXABJRHXJCEC-GOSISDBHSA-N. The full InChI is InChI=1S/C22H27ClN2O3S/c1-16(2)20-7-3-4-8-21(20)24-22(26)18-6-5-13-25(14-18)29(27,28)15-17-9-11-19(23)12-10-17/h3-4,7-12,16,18H,5-6,13-15H2,1-2H3,(H,24,26)/t18-/m1/s1.
What are the key properties of (3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide?
(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide has a molecular weight of 434.99 g/mol, XLogP of 4.64, 6 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]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 92642013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).