N-(3-acetylphenyl)-1-butylsulfonylpiperidine-4-carboxamide

C18H26N2O4S — CID 113007849

IUPACN-(3-acetylphenyl)-1-butylsulfonylpiperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)Nc2cccc(C(C)=O)c2)CC1
InChIInChI=1S/C18H26N2O4S/c1-3-4-12-25(23,24)20-10-8-15(9-11-20)18(22)19-17-7-5-6-16(13-17)14(2)21/h5-7,13,15H,3-4,8-12H2,1-2H3,(H,19,22)
InChIKeyCFCGQWBAFVMHGW-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.67
Rot. Bonds7

About N-(3-acetylphenyl)-1-butylsulfonylpiperidine-4-carboxamide

N-(3-acetylphenyl)-1-butylsulfonylpiperidine-4-carboxamide (PubChem CID 113007849) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-butylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-butylsulfonylpiperidine-4-carboxamide
PubChem CID113007849
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC NameN-(3-acetylphenyl)-1-butylsulfonylpiperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)Nc2cccc(C(C)=O)c2)CC1
InChIInChI=1S/C18H26N2O4S/c1-3-4-12-25(23,24)20-10-8-15(9-11-20)18(22)19-17-7-5-6-16(13-17)14(2)21/h5-7,13,15H,3-4,8-12H2,1-2H3,(H,19,22)
InChIKeyCFCGQWBAFVMHGW-UHFFFAOYSA-N
XLogP2.67
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butylsulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007487
1-butylsulfonyl-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 55788014
1-butylsulfonyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]piperidine-4-carboxamide
CID 55775539
N-(3-acetylphenyl)-4-butylcyclohexane-1-carboxamide
CID 19206974
N-(3-acetylphenyl)-1-propanoylpiperidine-4-carboxamide
CID 113007816
1-butylsulfonyl-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 55892915
N-(3-acetylphenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide
CID 1327585
N-(3-acetylphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 34830036
1-butylsulfonyl-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide
CID 55902536
1-(3-acetylphenyl)sulfonyl-N-[3-(hydroxymethyl)phenyl]piperidine-4-carboxamide
CID 9299938
N-(3-acetylphenyl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 39752679
ethyl 3-[[1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate
CID 43910213

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-butylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-butylsulfonylpiperidine-4-carboxamide (CID 113007849) is N-(3-acetylphenyl)-1-butylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-butylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-butylsulfonylpiperidine-4-carboxamide is CCCCS(=O)(=O)N1CCC(C(=O)Nc2cccc(C(C)=O)c2)CC1.
What is the InChIKey of N-(3-acetylphenyl)-1-butylsulfonylpiperidine-4-carboxamide?
The InChIKey is CFCGQWBAFVMHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-3-4-12-25(23,24)20-10-8-15(9-11-20)18(22)19-17-7-5-6-16(13-17)14(2)21/h5-7,13,15H,3-4,8-12H2,1-2H3,(H,19,22).
What are the key properties of N-(3-acetylphenyl)-1-butylsulfonylpiperidine-4-carboxamide?
N-(3-acetylphenyl)-1-butylsulfonylpiperidine-4-carboxamide has a molecular weight of 366.48 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-butylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 113007849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).