N-butyl-1-(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)-N-methylpiperidine-4-carboxamide

C23H34FN3O4S — CID 55836283

IUPACN-butyl-1-(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C23H34FN3O4S/c1-3-4-12-25(2)22(28)18-10-15-26(16-11-18)23(29)19-8-9-20(24)21(17-19)32(30,31)27-13-6-5-7-14-27/h8-9,17-18H,3-7,10-16H2,1-2H3
InChIKeyBRPNNYSQNAUTEM-UHFFFAOYSA-N
MW467.61 g/mol
LogP3.11
Rot. Bonds7

About N-butyl-1-(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)-N-methylpiperidine-4-carboxamide

N-butyl-1-(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)-N-methylpiperidine-4-carboxamide (PubChem CID 55836283) has the molecular formula C23H34FN3O4S and a molecular weight of 467.61 g/mol. Its IUPAC name is N-butyl-1-(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)-N-methylpiperidine-4-carboxamide
PubChem CID55836283
Molecular FormulaC23H34FN3O4S
Molecular Weight467.61 g/mol
Exact Mass467.23
IUPAC NameN-butyl-1-(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C23H34FN3O4S/c1-3-4-12-25(2)22(28)18-10-15-26(16-11-18)23(29)19-8-9-20(24)21(17-19)32(30,31)27-13-6-5-7-14-27/h8-9,17-18H,3-7,10-16H2,1-2H3
InChIKeyBRPNNYSQNAUTEM-UHFFFAOYSA-N
XLogP3.11
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-1-[4-(difluoromethylsulfonyl)benzoyl]-N-methylpiperidine-4-carboxamide
CID 55950780
(2-ethylpiperidin-1-yl)-(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanone
CID 51147915
(3,4-difluorophenyl)-[4-(4-fluoro-3-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 55599727
N-butyl-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 78798151
azepan-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone
CID 7964090
[4-(2,6-dimethylphenoxy)piperidin-1-yl]-(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 55803651
N-(cyclohexylmethyl)-N-[2-(dimethylamino)ethyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 60585979
N-butyl-1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide
CID 55836291
N-butyl-1-[4-(cyclopropanecarbonylamino)benzoyl]-N-methylpiperidine-4-carboxamide
CID 55836292
N-[(4-ethylphenyl)methyl]-4-fluoro-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 34890345
1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylic acid
CID 45426942
N,N-dibutyl-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119241

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)-N-methylpiperidine-4-carboxamide (CID 55836283) is N-butyl-1-(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)-N-methylpiperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)CC1.
What is the InChIKey of N-butyl-1-(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is BRPNNYSQNAUTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN3O4S/c1-3-4-12-25(2)22(28)18-10-15-26(16-11-18)23(29)19-8-9-20(24)21(17-19)32(30,31)27-13-6-5-7-14-27/h8-9,17-18H,3-7,10-16H2,1-2H3.
What are the key properties of N-butyl-1-(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)-N-methylpiperidine-4-carboxamide?
N-butyl-1-(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 467.61 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 55836283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).