N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide

C22H33N3O4S — CID 55895249

IUPACN-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C22H33N3O4S/c1-15-10-16(2)13-24(12-15)22(27)18-8-7-17(3)20(11-18)23-21(26)19-6-5-9-25(14-19)30(4,28)29/h7-8,11,15-16,19H,5-6,9-10,12-14H2,1-4H3,(H,23,26)
InChIKeyNZAXOVBBQODDHV-UHFFFAOYSA-N
MW435.59 g/mol
LogP2.72
Rot. Bonds4

About N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide

N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 55895249) has the molecular formula C22H33N3O4S and a molecular weight of 435.59 g/mol. Its IUPAC name is N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID55895249
Molecular FormulaC22H33N3O4S
Molecular Weight435.59 g/mol
Exact Mass435.22
IUPAC NameN-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C22H33N3O4S/c1-15-10-16(2)13-24(12-15)22(27)18-8-7-17(3)20(11-18)23-21(26)19-6-5-9-25(14-19)30(4,28)29/h7-8,11,15-16,19H,5-6,9-10,12-14H2,1-4H3,(H,23,26)
InChIKeyNZAXOVBBQODDHV-UHFFFAOYSA-N
XLogP2.72
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]piperidine-3-carboxamide
CID 119286388
(3S)-N-[5-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-methylphenyl]pyrrolidine-3-carboxamide
CID 124889380
N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 55766233
(3,5-dimethylpiperidin-1-yl)-[4-methyl-3-(3-methylsulfonylpropylamino)phenyl]methanone
CID 132970238
(3S)-N-(2-bromo-4-methylphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 25490278
(3S)-1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 33170416
N-(2,5-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 17023400
1-(4-chlorophenyl)sulfonyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]piperidine-3-carboxamide
CID 55786168
N-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826177
(3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 94082819
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55895387
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 18074440

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide (CID 55895249) is N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide is Cc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC(=O)C1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is NZAXOVBBQODDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4S/c1-15-10-16(2)13-24(12-15)22(27)18-8-7-17(3)20(11-18)23-21(26)19-6-5-9-25(14-19)30(4,28)29/h7-8,11,15-16,19H,5-6,9-10,12-14H2,1-4H3,(H,23,26).
What are the key properties of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide?
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 435.59 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55895249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).