(3S)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide

C19H27FN2O3S — CID 95875451

IUPAC(3S)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC[C@H](C(=O)NCC2(c3ccccc3F)CCCC2)C1
InChIInChI=1S/C19H27FN2O3S/c1-26(24,25)22-12-6-7-15(13-22)18(23)21-14-19(10-4-5-11-19)16-8-2-3-9-17(16)20/h2-3,8-9,15H,4-7,10-14H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyVXMMDBOXLQAVIX-HNNXBMFYSA-N
MW382.50 g/mol
LogP2.43
Rot. Bonds5

About (3S)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide

(3S)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 95875451) has the molecular formula C19H27FN2O3S and a molecular weight of 382.50 g/mol. Its IUPAC name is (3S)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID95875451
Molecular FormulaC19H27FN2O3S
Molecular Weight382.50 g/mol
Exact Mass382.17
IUPAC Name(3S)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC[C@H](C(=O)NCC2(c3ccccc3F)CCCC2)C1
InChIInChI=1S/C19H27FN2O3S/c1-26(24,25)22-12-6-7-15(13-22)18(23)21-14-19(10-4-5-11-19)16-8-2-3-9-17(16)20/h2-3,8-9,15H,4-7,10-14H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyVXMMDBOXLQAVIX-HNNXBMFYSA-N
XLogP2.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 47908630
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 115362212
1-[[(1-methylsulfonylpiperidine-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81369622
(3S)-1-ethylsulfonyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide
CID 98004889
N-(2,2-diphenylpropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 42939129
(3S)-N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7258343
(3R)-1-(benzenesulfonyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide
CID 100663435
N-[(4-methylphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 3242642
(3S)-1-methylsulfonyl-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
CID 7319798
N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 139009869
N-(2-benzylbutyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 50947150
1-(4-methylphenyl)sulfonyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide
CID 133168162

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide (CID 95875451) is (3S)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide is CS(=O)(=O)N1CCC[C@H](C(=O)NCC2(c3ccccc3F)CCCC2)C1.
What is the InChIKey of (3S)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is VXMMDBOXLQAVIX-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27FN2O3S/c1-26(24,25)22-12-6-7-15(13-22)18(23)21-14-19(10-4-5-11-19)16-8-2-3-9-17(16)20/h2-3,8-9,15H,4-7,10-14H2,1H3,(H,21,23)/t15-/m0/s1.
What are the key properties of (3S)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide?
(3S)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 382.50 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 95875451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).