1-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)cyclopentane-1-carboxamide

C18H25FN2O3S — CID 47908630

IUPAC1-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)cyclopentane-1-carboxamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)C2(c3ccccc3F)CCCC2)C1
InChIInChI=1S/C18H25FN2O3S/c1-25(23,24)21-12-6-7-14(13-21)20-17(22)18(10-4-5-11-18)15-8-2-3-9-16(15)19/h2-3,8-9,14H,4-7,10-13H2,1H3,(H,20,22)
InChIKeyGFXFMPCAVCYLMT-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.18
Rot. Bonds4

About 1-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)cyclopentane-1-carboxamide

1-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)cyclopentane-1-carboxamide (PubChem CID 47908630) has the molecular formula C18H25FN2O3S and a molecular weight of 368.47 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)cyclopentane-1-carboxamide
PubChem CID47908630
Molecular FormulaC18H25FN2O3S
Molecular Weight368.47 g/mol
Exact Mass368.16
IUPAC Name1-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)cyclopentane-1-carboxamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)C2(c3ccccc3F)CCCC2)C1
InChIInChI=1S/C18H25FN2O3S/c1-25(23,24)21-12-6-7-14(13-21)20-17(22)18(10-4-5-11-18)15-8-2-3-9-16(15)19/h2-3,8-9,14H,4-7,10-13H2,1H3,(H,20,22)
InChIKeyGFXFMPCAVCYLMT-UHFFFAOYSA-N
XLogP2.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-(2-fluorophenyl)cyclobutane-1-carboxamide
CID 110437552
(3S)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95875451
N-cyclopropyl-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 53016800
1-(2-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide
CID 75374478
(E)-4-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)but-3-enamide
CID 75408342
N-[3,3-bis(hydroxymethyl)cyclobutyl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 139020107
N-[(3R)-1-methylpiperidin-3-yl]-1-phenylcyclobutane-1-carboxamide
CID 95580679
[1-(2-fluorophenyl)cyclopentyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 146121846
5-bromo-2-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47909698
2-[2-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]phenyl]sulfanylpropanoic acid
CID 119182608
4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea
CID 94211342

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)cyclopentane-1-carboxamide (CID 47908630) is 1-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)cyclopentane-1-carboxamide is CS(=O)(=O)N1CCCC(NC(=O)C2(c3ccccc3F)CCCC2)C1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)cyclopentane-1-carboxamide?
The InChIKey is GFXFMPCAVCYLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3S/c1-25(23,24)21-12-6-7-14(13-21)20-17(22)18(10-4-5-11-18)15-8-2-3-9-16(15)19/h2-3,8-9,14H,4-7,10-13H2,1H3,(H,20,22).
What are the key properties of 1-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)cyclopentane-1-carboxamide?
1-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)cyclopentane-1-carboxamide has a molecular weight of 368.47 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 47908630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).