1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide

C22H35N3O3S — CID 15999456

IUPAC1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
SMILESCc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)N3CC(C)CC(C)C3)C2)cc1
InChIInChI=1S/C22H35N3O3S/c1-17-6-8-20(9-7-17)10-11-23-22(26)21-5-4-12-24(16-21)29(27,28)25-14-18(2)13-19(3)15-25/h6-9,18-19,21H,4-5,10-16H2,1-3H3,(H,23,26)
InChIKeyBJKXSLTYDOLENZ-UHFFFAOYSA-N
MW421.61 g/mol
LogP2.59
Rot. Bonds6

About 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide

1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 15999456) has the molecular formula C22H35N3O3S and a molecular weight of 421.61 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
PubChem CID15999456
Molecular FormulaC22H35N3O3S
Molecular Weight421.61 g/mol
Exact Mass421.24
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
SMILESCc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)N3CC(C)CC(C)C3)C2)cc1
InChIInChI=1S/C22H35N3O3S/c1-17-6-8-20(9-7-17)10-11-23-22(26)21-5-4-12-24(16-21)29(27,28)25-14-18(2)13-19(3)15-25/h6-9,18-19,21H,4-5,10-16H2,1-3H3,(H,23,26)
InChIKeyBJKXSLTYDOLENZ-UHFFFAOYSA-N
XLogP2.59
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.61
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide
CID 133197596
N-[2-(4-ethoxyphenyl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 20911420
1-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
CID 22552986
(3S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide
CID 98477781
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylpiperidine-3-carboxamide
CID 92696285
1-(benzenesulfonyl)-N-[3-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 133167768
(3S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide
CID 98477675
N-[3-(4-hydroxyphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 86973039
N-[3-(4-fluorophenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168061
(3R)-N-[3-(4-methylphenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 30394720
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 15996427
N-[(4-methylphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 3242642

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide (CID 15999456) is 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide is Cc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)N3CC(C)CC(C)C3)C2)cc1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is BJKXSLTYDOLENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3S/c1-17-6-8-20(9-7-17)10-11-23-22(26)21-5-4-12-24(16-21)29(27,28)25-14-18(2)13-19(3)15-25/h6-9,18-19,21H,4-5,10-16H2,1-3H3,(H,23,26).
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide?
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 421.61 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 15999456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).