1-(4-methoxypiperidine-4-carbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride

C21H32ClN3O3 — CID 119759309

IUPAC1-(4-methoxypiperidine-4-carbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)N2CCC(C(=O)NCc3ccc(C)cc3)CC2)CCNCC1.Cl
InChIInChI=1S/C21H31N3O3.ClH/c1-16-3-5-17(6-4-16)15-23-19(25)18-7-13-24(14-8-18)20(26)21(27-2)9-11-22-12-10-21;/h3-6,18,22H,7-15H2,1-2H3,(H,23,25);1H
InChIKeyXAZIHGAELQJENT-UHFFFAOYSA-N
MW409.96 g/mol
LogP2.04
Rot. Bonds5

About 1-(4-methoxypiperidine-4-carbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride

1-(4-methoxypiperidine-4-carbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119759309) has the molecular formula C21H32ClN3O3 and a molecular weight of 409.96 g/mol. Its IUPAC name is 1-(4-methoxypiperidine-4-carbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-methoxypiperidine-4-carbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119759309
Molecular FormulaC21H32ClN3O3
Molecular Weight409.96 g/mol
Exact Mass409.21
IUPAC Name1-(4-methoxypiperidine-4-carbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)N2CCC(C(=O)NCc3ccc(C)cc3)CC2)CCNCC1.Cl
InChIInChI=1S/C21H31N3O3.ClH/c1-16-3-5-17(6-4-16)15-23-19(25)18-7-13-24(14-8-18)20(26)21(27-2)9-11-22-12-10-21;/h3-6,18,22H,7-15H2,1-2H3,(H,23,25);1H
InChIKeyXAZIHGAELQJENT-UHFFFAOYSA-N
XLogP2.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.96
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxypiperidine-4-carbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride 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

N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methoxypiperidine-4-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 119720853
1-(1-aminocyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119759271
N-[(4-methoxyphenyl)methyl]-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113004350
1-[[1-(4-methoxypiperidine-4-carbonyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea;hydrochloride
CID 119761762
1-N-[(4-ethylcyclohexyl)methyl]-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 166322196
1-[2-(4-aminophenyl)acetyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 119759278
4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119836245
(4-methoxypiperidin-4-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone;hydrochloride
CID 119741426
(4-methoxypiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 119675095
1-N-cyclohexyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 1083731
1-(4-methoxypiperidine-4-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 119855248
1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 87020609

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypiperidine-4-carbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-(4-methoxypiperidine-4-carbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride (CID 119759309) is 1-(4-methoxypiperidine-4-carbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-methoxypiperidine-4-carbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-methoxypiperidine-4-carbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride is COC1(C(=O)N2CCC(C(=O)NCc3ccc(C)cc3)CC2)CCNCC1.Cl.
What is the InChIKey of 1-(4-methoxypiperidine-4-carbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is XAZIHGAELQJENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3.ClH/c1-16-3-5-17(6-4-16)15-23-19(25)18-7-13-24(14-8-18)20(26)21(27-2)9-11-22-12-10-21;/h3-6,18,22H,7-15H2,1-2H3,(H,23,25);1H.
What are the key properties of 1-(4-methoxypiperidine-4-carbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
1-(4-methoxypiperidine-4-carbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 409.96 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypiperidine-4-carbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119759309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).