1-methylsulfonyl-N-[(2S)-2-phenylbutyl]piperidine-4-carboxamide

C17H26N2O3S — CID 30016105

IUPAC1-methylsulfonyl-N-[(2S)-2-phenylbutyl]piperidine-4-carboxamide
SMILESCC[C@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1
InChIInChI=1S/C17H26N2O3S/c1-3-14(15-7-5-4-6-8-15)13-18-17(20)16-9-11-19(12-10-16)23(2,21)22/h4-8,14,16H,3,9-13H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyKJHMZDOSFOLKMX-CQSZACIVSA-N
MW338.47 g/mol
LogP1.97
Rot. Bonds6

About 1-methylsulfonyl-N-[(2S)-2-phenylbutyl]piperidine-4-carboxamide

1-methylsulfonyl-N-[(2S)-2-phenylbutyl]piperidine-4-carboxamide (PubChem CID 30016105) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[(2S)-2-phenylbutyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[(2S)-2-phenylbutyl]piperidine-4-carboxamide
PubChem CID30016105
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name1-methylsulfonyl-N-[(2S)-2-phenylbutyl]piperidine-4-carboxamide
SMILESCC[C@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1
InChIInChI=1S/C17H26N2O3S/c1-3-14(15-7-5-4-6-8-15)13-18-17(20)16-9-11-19(12-10-16)23(2,21)22/h4-8,14,16H,3,9-13H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyKJHMZDOSFOLKMX-CQSZACIVSA-N
XLogP1.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfonyl-N-(2-phenyl-2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 110357434
N-[(2S)-2-phenylbutyl]cyclobutanecarboxamide
CID 39952483
2-benzyl-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 119233765
N-(2-phenylbutyl)piperidine-4-carboxamide;hydrochloride
CID 119271710
1-(furan-3-carbonyl)-N-(2-phenylbutyl)piperidine-4-carboxamide
CID 134048628
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 34967946
1-(benzenesulfonyl)-N-(2-phenylbutyl)piperidine-2-carboxamide
CID 43017670
N-[(2R)-2-benzylbutyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 95554605
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 32634657
N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 112506462
N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 97416883
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 90613388

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[(2S)-2-phenylbutyl]piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[(2S)-2-phenylbutyl]piperidine-4-carboxamide (CID 30016105) is 1-methylsulfonyl-N-[(2S)-2-phenylbutyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[(2S)-2-phenylbutyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[(2S)-2-phenylbutyl]piperidine-4-carboxamide is CC[C@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1.
What is the InChIKey of 1-methylsulfonyl-N-[(2S)-2-phenylbutyl]piperidine-4-carboxamide?
The InChIKey is KJHMZDOSFOLKMX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-3-14(15-7-5-4-6-8-15)13-18-17(20)16-9-11-19(12-10-16)23(2,21)22/h4-8,14,16H,3,9-13H2,1-2H3,(H,18,20)/t14-/m1/s1.
What are the key properties of 1-methylsulfonyl-N-[(2S)-2-phenylbutyl]piperidine-4-carboxamide?
1-methylsulfonyl-N-[(2S)-2-phenylbutyl]piperidine-4-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[(2S)-2-phenylbutyl]piperidine-4-carboxamide is sourced from PubChem (CID 30016105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).