1-N-(4-chlorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide

C22H26ClN3O2 — CID 53117219

IUPAC1-N-(4-chlorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide
SMILESCc1ccccc1CNC(=O)C1(C)CCCN(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H26ClN3O2/c1-16-6-3-4-7-17(16)14-24-20(27)22(2)12-5-13-26(15-22)21(28)25-19-10-8-18(23)9-11-19/h3-4,6-11H,5,12-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyIRYFNUWHAZOVJK-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.60
Rot. Bonds4

About 1-N-(4-chlorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide

1-N-(4-chlorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide (PubChem CID 53117219) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 1-N-(4-chlorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-chlorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide
PubChem CID53117219
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name1-N-(4-chlorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide
SMILESCc1ccccc1CNC(=O)C1(C)CCCN(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H26ClN3O2/c1-16-6-3-4-7-17(16)14-24-20(27)22(2)12-5-13-26(15-22)21(28)25-19-10-8-18(23)9-11-19/h3-4,6-11H,5,12-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyIRYFNUWHAZOVJK-UHFFFAOYSA-N
XLogP4.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl 3-(1-(4-chlorophenylcarbamoyl)-3-phenylpiperidin-3-yl)propanoate
CID 25138325
N-(4-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
CID 846926
(3S)-N~3~-(4-chloro-3-fluorophenyl)-N~1~-propylpiperidine-1,3-dicarboxamide
CID 139267758
N-(4-chlorophenyl)-3-methyl-3-phenylpiperidine-1-carboxamide
CID 44555473
N-(4-chlorophenyl)-N'-(2-methylbenzyl)urea
CID 2229450
N1-(4-chlorophenyl)-2-(4-benzyl-3-oxo-2-piperazinyl)acetamide
CID 2806928
N-(4-chlorophenyl)-N'-[3-(3,4-dihydro-2(1H)-isoquinolinyl)propyl]urea
CID 2214231
N-(4-chlorophenyl)-N'-{[1-(2,5-dimethylbenzyl)piperidin-4-yl]methyl}urea
CID 22430352
N-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 1342233
N-(4-chlorophenyl)-3-(2-cyanoethyl)-3-phenylpiperidine-1-carboxamide
CID 42644084
4-(1-(4-Chlorophenylcarbamoyl)-3-phenylpiperidin-3-yl)butanoic acid
CID 42644088
3-(3-amino-3-oxopropyl)-N-(4-chlorophenyl)-3-phenylpiperidine-1-carboxamide
CID 46882951

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chlorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(4-chlorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide (CID 53117219) is 1-N-(4-chlorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(4-chlorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(4-chlorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide is Cc1ccccc1CNC(=O)C1(C)CCCN(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-N-(4-chlorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide?
The InChIKey is IRYFNUWHAZOVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-16-6-3-4-7-17(16)14-24-20(27)22(2)12-5-13-26(15-22)21(28)25-19-10-8-18(23)9-11-19/h3-4,6-11H,5,12-15H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 1-N-(4-chlorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide?
1-N-(4-chlorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide has a molecular weight of 399.92 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chlorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 53117219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).