(3R)-1-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoyl]piperidine-3-carboxamide

C17H24FN3O4S — CID 9406370

IUPAC(3R)-1-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoyl]piperidine-3-carboxamide
SMILESCN(CCCC(=O)N1CCC[C@@H](C(N)=O)C1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H24FN3O4S/c1-20(26(24,25)15-8-6-14(18)7-9-15)10-3-5-16(22)21-11-2-4-13(12-21)17(19)23/h6-9,13H,2-5,10-12H2,1H3,(H2,19,23)/t13-/m1/s1
InChIKeyLFXKPZZDOHLLLU-CYBMUJFWSA-N
MW385.46 g/mol
LogP0.95
Rot. Bonds7

About (3R)-1-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoyl]piperidine-3-carboxamide

(3R)-1-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoyl]piperidine-3-carboxamide (PubChem CID 9406370) has the molecular formula C17H24FN3O4S and a molecular weight of 385.46 g/mol. Its IUPAC name is (3R)-1-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoyl]piperidine-3-carboxamide
PubChem CID9406370
Molecular FormulaC17H24FN3O4S
Molecular Weight385.46 g/mol
Exact Mass385.15
IUPAC Name(3R)-1-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoyl]piperidine-3-carboxamide
SMILESCN(CCCC(=O)N1CCC[C@@H](C(N)=O)C1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H24FN3O4S/c1-20(26(24,25)15-8-6-14(18)7-9-15)10-3-5-16(22)21-11-2-4-13(12-21)17(19)23/h6-9,13H,2-5,10-12H2,1H3,(H2,19,23)/t13-/m1/s1
InChIKeyLFXKPZZDOHLLLU-CYBMUJFWSA-N
XLogP0.95
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide
CID 119373543
N-[4-(4-amino-3,3-dimethylpiperidin-1-yl)-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide
CID 120820249
N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide;hydrochloride
CID 119466785
N-[4-[4-(2,2-difluoroethyl)piperazin-1-yl]-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide
CID 49071480
N-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide;hydrochloride
CID 119435042
4-acetyl-N-[4-[(3R)-3-aminopyrrolidin-1-yl]-4-oxobutyl]-N-methylbenzenesulfonamide
CID 119412223
1-[3-(4-methylphenyl)sulfonylpropanoyl]piperidine-3-carboxamide
CID 78784819
4-fluoro-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]-N-methylbenzenesulfonamide
CID 55358521
(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 778314
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
N-methyl-9,10-dioxo-N-(4-oxo-4-pyrrolidin-1-ylbutyl)anthracene-2-sulfonamide
CID 16805073
1-[2-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 56544353

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoyl]piperidine-3-carboxamide (CID 9406370) is (3R)-1-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoyl]piperidine-3-carboxamide is CN(CCCC(=O)N1CCC[C@@H](C(N)=O)C1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (3R)-1-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoyl]piperidine-3-carboxamide?
The InChIKey is LFXKPZZDOHLLLU-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24FN3O4S/c1-20(26(24,25)15-8-6-14(18)7-9-15)10-3-5-16(22)21-11-2-4-13(12-21)17(19)23/h6-9,13H,2-5,10-12H2,1H3,(H2,19,23)/t13-/m1/s1.
What are the key properties of (3R)-1-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoyl]piperidine-3-carboxamide?
(3R)-1-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoyl]piperidine-3-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 9406370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).