1-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide

C19H29N3O4S — CID 21367883

IUPAC1-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide
SMILESCc1ccc(C)c(N(CCCC(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)c1
InChIInChI=1S/C19H29N3O4S/c1-14-6-7-15(2)17(13-14)22(27(3,25)26)10-4-5-18(23)21-11-8-16(9-12-21)19(20)24/h6-7,13,16H,4-5,8-12H2,1-3H3,(H2,20,24)
InChIKeyOOLSHKHLWBWNQD-UHFFFAOYSA-N
MW395.53 g/mol
LogP1.57
Rot. Bonds7

About 1-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide

1-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide (PubChem CID 21367883) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is 1-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide
PubChem CID21367883
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name1-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide
SMILESCc1ccc(C)c(N(CCCC(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)c1
InChIInChI=1S/C19H29N3O4S/c1-14-6-7-15(2)17(13-14)22(27(3,25)26)10-4-5-18(23)21-11-8-16(9-12-21)19(20)24/h6-7,13,16H,4-5,8-12H2,1-3H3,(H2,20,24)
InChIKeyOOLSHKHLWBWNQD-UHFFFAOYSA-N
XLogP1.57
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142126
1-[4-(N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide
CID 6500036
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,4-dimethylphenyl)methanesulfonamide
CID 113142063
4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 99971590
N-(3-chloro-2-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]methanesulfonamide
CID 100545028
ethyl 4-[2-(2,5-dimethyl-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate
CID 1085929
N-(5-chloro-2-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113144037
4-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoylamino]benzamide
CID 21173770
N-(2,5-dichlorophenyl)-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]methanesulfonamide
CID 21368354
1-[2-(2,4,5-trichloro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide
CID 1251616
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-piperidin-1-ylethanone
CID 53281969
1-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide
CID 126031859

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide (CID 21367883) is 1-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide is Cc1ccc(C)c(N(CCCC(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)c1.
What is the InChIKey of 1-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide?
The InChIKey is OOLSHKHLWBWNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-14-6-7-15(2)17(13-14)22(27(3,25)26)10-4-5-18(23)21-11-8-16(9-12-21)19(20)24/h6-7,13,16H,4-5,8-12H2,1-3H3,(H2,20,24).
What are the key properties of 1-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide?
1-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 21367883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).