1-[(4-chlorophenyl)methylsulfonyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide

C18H27ClN2O3S — CID 100568439

IUPAC1-[(4-chlorophenyl)methylsulfonyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
SMILESCC(C)[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H27ClN2O3S/c1-13(2)14(3)20-18(22)16-8-10-21(11-9-16)25(23,24)12-15-4-6-17(19)7-5-15/h4-7,13-14,16H,8-12H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyOWTFRAJTCHUAEW-AWEZNQCLSA-N
MW386.95 g/mol
LogP3.04
Rot. Bonds6

About 1-[(4-chlorophenyl)methylsulfonyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide

1-[(4-chlorophenyl)methylsulfonyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide (PubChem CID 100568439) has the molecular formula C18H27ClN2O3S and a molecular weight of 386.95 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methylsulfonyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methylsulfonyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
PubChem CID100568439
Molecular FormulaC18H27ClN2O3S
Molecular Weight386.95 g/mol
Exact Mass386.14
IUPAC Name1-[(4-chlorophenyl)methylsulfonyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
SMILESCC(C)[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H27ClN2O3S/c1-13(2)14(3)20-18(22)16-8-10-21(11-9-16)25(23,24)12-15-4-6-17(19)7-5-15/h4-7,13-14,16H,8-12H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyOWTFRAJTCHUAEW-AWEZNQCLSA-N
XLogP3.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.95
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4-chlorophenyl)methylsulfonyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[(2S)-3-methylbutan-2-yl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 100568345
1-[(4-chlorophenyl)methylsulfonyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 92802401
1-[(4-chlorophenyl)methylsulfonyl]-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide
CID 93486857
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 27782107
N-[(2R)-butan-2-yl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92802421
N-[1-(4-methylphenyl)ethyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 43916032
N-(3-chloro-4-methylphenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642585
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(4-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642579
1-[(4-bromophenyl)methylsulfonyl]-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 28569428
1-benzylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 29204152
1-benzylsulfonyl-N-[2-(4-chlorophenyl)propan-2-yl]piperidine-4-carboxamide
CID 86883702
N-[(1R)-1-(4-ethylphenyl)ethyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 100693033

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide (CID 100568439) is 1-[(4-chlorophenyl)methylsulfonyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methylsulfonyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methylsulfonyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide is CC(C)[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methylsulfonyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide?
The InChIKey is OWTFRAJTCHUAEW-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27ClN2O3S/c1-13(2)14(3)20-18(22)16-8-10-21(11-9-16)25(23,24)12-15-4-6-17(19)7-5-15/h4-7,13-14,16H,8-12H2,1-3H3,(H,20,22)/t14-/m0/s1.
What are the key properties of 1-[(4-chlorophenyl)methylsulfonyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide?
1-[(4-chlorophenyl)methylsulfonyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide has a molecular weight of 386.95 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methylsulfonyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 100568439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).