1-(3,4-dimethoxybenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide

C23H28N2O4 — CID 113003957

IUPAC1-(3,4-dimethoxybenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)NCc3ccccc3C)CC2)cc1OC
InChIInChI=1S/C23H28N2O4/c1-16-6-4-5-7-19(16)15-24-22(26)17-10-12-25(13-11-17)23(27)18-8-9-20(28-2)21(14-18)29-3/h4-9,14,17H,10-13,15H2,1-3H3,(H,24,26)
InChIKeyXFZMUJDIAOUCKG-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.18
Rot. Bonds6

About 1-(3,4-dimethoxybenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide

1-(3,4-dimethoxybenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 113003957) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-(3,4-dimethoxybenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxybenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID113003957
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name1-(3,4-dimethoxybenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)NCc3ccccc3C)CC2)cc1OC
InChIInChI=1S/C23H28N2O4/c1-16-6-4-5-7-19(16)15-24-22(26)17-10-12-25(13-11-17)23(27)18-8-9-20(28-2)21(14-18)29-3/h4-9,14,17H,10-13,15H2,1-3H3,(H,24,26)
InChIKeyXFZMUJDIAOUCKG-UHFFFAOYSA-N
XLogP3.18
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 42867368
1-(4-tert-butylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 113003956
1-(3,4-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 46412193
N-[(2-methylphenyl)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26114390
1-(3,4-dimethoxybenzoyl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide
CID 118765591
1-(3,4-dimethoxybenzoyl)-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 113006445
1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 39730995
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 108934973
1-(3,4-dimethoxybenzoyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 113006178
1-benzoyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110298322
1-acetyl-N-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxamide
CID 32858300
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739823

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxybenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dimethoxybenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide (CID 113003957) is 1-(3,4-dimethoxybenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxybenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxybenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide is COc1ccc(C(=O)N2CCC(C(=O)NCc3ccccc3C)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxybenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is XFZMUJDIAOUCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-16-6-4-5-7-19(16)15-24-22(26)17-10-12-25(13-11-17)23(27)18-8-9-20(28-2)21(14-18)29-3/h4-9,14,17H,10-13,15H2,1-3H3,(H,24,26).
What are the key properties of 1-(3,4-dimethoxybenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
1-(3,4-dimethoxybenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxybenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 113003957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).