N-(4-butylphenyl)-1-methylsulfonylpiperidine-4-carboxamide

C17H26N2O3S — CID 2956776

IUPACN-(4-butylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCCCc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-3-4-5-14-6-8-16(9-7-14)18-17(20)15-10-12-19(13-11-15)23(2,21)22/h6-9,15H,3-5,10-13H2,1-2H3,(H,18,20)
InChIKeyVYKXUHJUVVQHFI-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.64
Rot. Bonds6

About N-(4-butylphenyl)-1-methylsulfonylpiperidine-4-carboxamide

N-(4-butylphenyl)-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 2956776) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-(4-butylphenyl)-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID2956776
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-(4-butylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCCCc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-3-4-5-14-6-8-16(9-7-14)18-17(20)15-10-12-19(13-11-15)23(2,21)22/h6-9,15H,3-5,10-13H2,1-2H3,(H,18,20)
InChIKeyVYKXUHJUVVQHFI-UHFFFAOYSA-N
XLogP2.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-Acetylpiperazin-1-Yl)benzyl]-N-(2-Methylpropyl)-1-Phenylmethanesulfonamide
CID 86346645
N-(2,6-dimethylphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 892323
N-(3-fluorophenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 2990495
N-(4-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 2991521
N-(3,4-difluorophenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 19583486
2,2-dimethyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]propanamide
CID 824048
2-[cyclohexyl(methylsulfonyl)amino]-N-(2-ethylphenyl)acetamide
CID 848403
N-(4-chlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 892073
N-(3-chloro-4-methylphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 892262
N-(3-fluorophenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 893951
3-(4-benzyl-1-piperidinyl)-N-(4-methylphenyl)propanamide
CID 894420
N-(4-chloro-2-methylphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 1081267

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-butylphenyl)-1-methylsulfonylpiperidine-4-carboxamide (CID 2956776) is N-(4-butylphenyl)-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-1-methylsulfonylpiperidine-4-carboxamide is CCCCc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of N-(4-butylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is VYKXUHJUVVQHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-3-4-5-14-6-8-16(9-7-14)18-17(20)15-10-12-19(13-11-15)23(2,21)22/h6-9,15H,3-5,10-13H2,1-2H3,(H,18,20).
What are the key properties of N-(4-butylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
N-(4-butylphenyl)-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2956776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).