N-butyl-1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide

C23H34FN3O4S — CID 55836291

IUPACN-butyl-1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C23H34FN3O4S/c1-3-4-13-25(2)22(28)18-11-15-26(16-12-18)23(29)19-6-5-14-27(17-19)32(30,31)21-9-7-20(24)8-10-21/h7-10,18-19H,3-6,11-17H2,1-2H3
InChIKeyODWTVMBSCCXRQP-UHFFFAOYSA-N
MW467.61 g/mol
LogP2.72
Rot. Bonds7

About N-butyl-1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide

N-butyl-1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide (PubChem CID 55836291) has the molecular formula C23H34FN3O4S and a molecular weight of 467.61 g/mol. Its IUPAC name is N-butyl-1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide
PubChem CID55836291
Molecular FormulaC23H34FN3O4S
Molecular Weight467.61 g/mol
Exact Mass467.23
IUPAC NameN-butyl-1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C23H34FN3O4S/c1-3-4-13-25(2)22(28)18-11-15-26(16-12-18)23(29)19-6-5-14-27(17-19)32(30,31)21-9-7-20(24)8-10-21/h7-10,18-19H,3-6,11-17H2,1-2H3
InChIKeyODWTVMBSCCXRQP-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 55406673
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3236130
methyl 1-[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 40947352
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400137
N-butyl-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 78798151
N-butyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005666
1-(4-fluorophenyl)sulfonyl-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 55897208
N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 55407096
N,N-diethyl-4-[3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 168832180
1-(4-fluorophenyl)sulfonyl-N-methyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 18114209
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 100800248
[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 29092944

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide (CID 55836291) is N-butyl-1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(C(=O)C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1.
What is the InChIKey of N-butyl-1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is ODWTVMBSCCXRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN3O4S/c1-3-4-13-25(2)22(28)18-11-15-26(16-12-18)23(29)19-6-5-14-27(17-19)32(30,31)21-9-7-20(24)8-10-21/h7-10,18-19H,3-6,11-17H2,1-2H3.
What are the key properties of N-butyl-1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide?
N-butyl-1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 467.61 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 55836291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).