1-[4-(N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide

C17H25N3O4S — CID 6500036

IUPAC1-[4-(N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N(CCCC(=O)N1CCC(C(N)=O)CC1)c1ccccc1
InChIInChI=1S/C17H25N3O4S/c1-25(23,24)20(15-6-3-2-4-7-15)11-5-8-16(21)19-12-9-14(10-13-19)17(18)22/h2-4,6-7,14H,5,8-13H2,1H3,(H2,18,22)
InChIKeyWOMUIYJBETWUEF-UHFFFAOYSA-N
MW367.47 g/mol
LogP0.96
Rot. Bonds7

About 1-[4-(N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide

1-[4-(N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide (PubChem CID 6500036) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-[4-(N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide
PubChem CID6500036
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name1-[4-(N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N(CCCC(=O)N1CCC(C(N)=O)CC1)c1ccccc1
InChIInChI=1S/C17H25N3O4S/c1-25(23,24)20(15-6-3-2-4-7-15)11-5-8-16(21)19-12-9-14(10-13-19)17(18)22/h2-4,6-7,14H,5,8-13H2,1H3,(H2,18,22)
InChIKeyWOMUIYJBETWUEF-UHFFFAOYSA-N
XLogP0.96
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide
CID 21367883
1-[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]piperidine-4-carboxamide
CID 2928967
4-(N-methylsulfonylanilino)butanoic acid
CID 50889586
1-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide
CID 126031859
1-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]piperidine-4-carboxamide
CID 126035425
N-[4-(4-benzhydrylpiperazin-1-yl)-4-oxobutyl]-N-(4-fluorophenyl)methanesulfonamide
CID 21368140
N-(4-oxo-4-pyrrolidin-1-ylbutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 53278261
N-(3-chloro-2-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]methanesulfonamide
CID 100545028
N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 53286671
N-(3-chlorophenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide
CID 6499007
1-[2-(benzenesulfonyl)acetyl]piperidine-4-carboxamide
CID 17312294
N-(4-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide
CID 53286652

Frequently Asked Questions

What is the IUPAC name of 1-[4-(N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide (CID 6500036) is 1-[4-(N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide is CS(=O)(=O)N(CCCC(=O)N1CCC(C(N)=O)CC1)c1ccccc1.
What is the InChIKey of 1-[4-(N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide?
The InChIKey is WOMUIYJBETWUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-25(23,24)20(15-6-3-2-4-7-15)11-5-8-16(21)19-12-9-14(10-13-19)17(18)22/h2-4,6-7,14H,5,8-13H2,1H3,(H2,18,22).
What are the key properties of 1-[4-(N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide?
1-[4-(N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 6500036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).