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

C17H23FN2O3S — CID 134003179

IUPACN-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)N(Cc2ccccc2F)C2CC2)C1
InChIInChI=1S/C17H23FN2O3S/c1-24(22,23)19-10-4-6-14(11-19)17(21)20(15-8-9-15)12-13-5-2-3-7-16(13)18/h2-3,5,7,14-15H,4,6,8-12H2,1H3
InChIKeyPTOFQWHMOHBKBK-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.99
Rot. Bonds5

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

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 134003179) has the molecular formula C17H23FN2O3S and a molecular weight of 354.45 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID134003179
Molecular FormulaC17H23FN2O3S
Molecular Weight354.45 g/mol
Exact Mass354.14
IUPAC NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)N(Cc2ccccc2F)C2CC2)C1
InChIInChI=1S/C17H23FN2O3S/c1-24(22,23)19-10-4-6-14(11-19)17(21)20(15-8-9-15)12-13-5-2-3-7-16(13)18/h2-3,5,7,14-15H,4,6,8-12H2,1H3
InChIKeyPTOFQWHMOHBKBK-UHFFFAOYSA-N
XLogP1.99
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 134013706
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone
CID 28559689
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 31118654
(3S)-1-(4-bromophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 38046855
1-(benzenesulfonyl)-N-benzyl-N-cyclopropylpiperidine-3-carboxamide
CID 46438624
(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 125061960
(3S)-N-[(2-fluorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 125047791
2-(2-fluorophenyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 79613090
(3R)-N-benzyl-N-(cyanomethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 94537667
N-benzyl-N-(4-methylphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 43043853
N-[2-(hydroxymethyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 61497891
N-cyclopropyl-N-[(2-fluorophenyl)methyl]but-2-enamide
CID 78911608

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide (CID 134003179) is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)N(Cc2ccccc2F)C2CC2)C1.
What is the InChIKey of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is PTOFQWHMOHBKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3S/c1-24(22,23)19-10-4-6-14(11-19)17(21)20(15-8-9-15)12-13-5-2-3-7-16(13)18/h2-3,5,7,14-15H,4,6,8-12H2,1H3.
What are the key properties of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 134003179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).