4-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide

C22H26ClN3O3S — CID 86958665

IUPAC4-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCC(C(=O)Nc3ccc(Cl)c(CS(C)=O)c3)CC2)c1
InChIInChI=1S/C22H26ClN3O3S/c1-15-4-3-5-18(12-15)25-22(28)26-10-8-16(9-11-26)21(27)24-19-6-7-20(23)17(13-19)14-30(2)29/h3-7,12-13,16H,8-11,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyOYSNSJCGWNSEGJ-UHFFFAOYSA-N
MW447.99 g/mol
LogP4.41
Rot. Bonds5

About 4-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide

4-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide (PubChem CID 86958665) has the molecular formula C22H26ClN3O3S and a molecular weight of 447.99 g/mol. Its IUPAC name is 4-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
PubChem CID86958665
Molecular FormulaC22H26ClN3O3S
Molecular Weight447.99 g/mol
Exact Mass447.14
IUPAC Name4-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCC(C(=O)Nc3ccc(Cl)c(CS(C)=O)c3)CC2)c1
InChIInChI=1S/C22H26ClN3O3S/c1-15-4-3-5-18(12-15)25-22(28)26-10-8-16(9-11-26)21(27)24-19-6-7-20(23)17(13-19)14-30(2)29/h3-7,12-13,16H,8-11,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyOYSNSJCGWNSEGJ-UHFFFAOYSA-N
XLogP4.41
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.99
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
4-N-methyl-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 84531623
4-N-(3,4-dichlorophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26577149
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 16645831
3-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119790110
1-(3-methylbutanoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006115
1-N-(3-methylphenyl)-4-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperidine-1,4-dicarboxamide
CID 86947008
tert-butyl 4-[(3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 9039069
cis-(1R,2S)-2-(2-chloro-6-fluorophenyl)-N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]cyclopropane-1-carboxamide
CID 100620094
1-N-(3-methylphenyl)-4-N-(2-phenoxyphenyl)piperidine-1,4-dicarboxamide
CID 60541262
N-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 113006134

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide (CID 86958665) is 4-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide is Cc1cccc(NC(=O)N2CCC(C(=O)Nc3ccc(Cl)c(CS(C)=O)c3)CC2)c1.
What is the InChIKey of 4-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide?
The InChIKey is OYSNSJCGWNSEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3S/c1-15-4-3-5-18(12-15)25-22(28)26-10-8-16(9-11-26)21(27)24-19-6-7-20(23)17(13-19)14-30(2)29/h3-7,12-13,16H,8-11,14H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 4-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide?
4-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide has a molecular weight of 447.99 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 86958665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).