1-(2,6-dimethoxybenzoyl)-N-methyl-N-phenylpiperidine-4-carboxamide

C22H26N2O4 — CID 113006226

IUPAC1-(2,6-dimethoxybenzoyl)-N-methyl-N-phenylpiperidine-4-carboxamide
SMILESCOc1cccc(OC)c1C(=O)N1CCC(C(=O)N(C)c2ccccc2)CC1
InChIInChI=1S/C22H26N2O4/c1-23(17-8-5-4-6-9-17)21(25)16-12-14-24(15-13-16)22(26)20-18(27-2)10-7-11-19(20)28-3/h4-11,16H,12-15H2,1-3H3
InChIKeyUSMRWWHJHBHICB-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.22
Rot. Bonds5

About 1-(2,6-dimethoxybenzoyl)-N-methyl-N-phenylpiperidine-4-carboxamide

1-(2,6-dimethoxybenzoyl)-N-methyl-N-phenylpiperidine-4-carboxamide (PubChem CID 113006226) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-(2,6-dimethoxybenzoyl)-N-methyl-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,6-dimethoxybenzoyl)-N-methyl-N-phenylpiperidine-4-carboxamide
PubChem CID113006226
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name1-(2,6-dimethoxybenzoyl)-N-methyl-N-phenylpiperidine-4-carboxamide
SMILESCOc1cccc(OC)c1C(=O)N1CCC(C(=O)N(C)c2ccccc2)CC1
InChIInChI=1S/C22H26N2O4/c1-23(17-8-5-4-6-9-17)21(25)16-12-14-24(15-13-16)22(26)20-18(27-2)10-7-11-19(20)28-3/h4-11,16H,12-15H2,1-3H3
InChIKeyUSMRWWHJHBHICB-UHFFFAOYSA-N
XLogP3.22
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693670
1-(2-fluoro-6-methoxybenzoyl)piperidine-4-carboxylic acid
CID 65432243
methyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate
CID 110818263
[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 110365155
4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55237916
N-methyl-1-[2-(3-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 113006248
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549752
1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid
CID 28513181
ethyl 4-[1-(2,6-dimethoxybenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 126029620
N-(4-carbamoylphenyl)-1-(5-chloro-2-methoxybenzoyl)-N-methylpiperidine-4-carboxamide
CID 55903833
1-(2,6-dimethoxybenzoyl)-N-(4-iodophenyl)piperidine-4-carboxamide
CID 126029057
4-[(2-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63782486

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxybenzoyl)-N-methyl-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,6-dimethoxybenzoyl)-N-methyl-N-phenylpiperidine-4-carboxamide (CID 113006226) is 1-(2,6-dimethoxybenzoyl)-N-methyl-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,6-dimethoxybenzoyl)-N-methyl-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,6-dimethoxybenzoyl)-N-methyl-N-phenylpiperidine-4-carboxamide is COc1cccc(OC)c1C(=O)N1CCC(C(=O)N(C)c2ccccc2)CC1.
What is the InChIKey of 1-(2,6-dimethoxybenzoyl)-N-methyl-N-phenylpiperidine-4-carboxamide?
The InChIKey is USMRWWHJHBHICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-23(17-8-5-4-6-9-17)21(25)16-12-14-24(15-13-16)22(26)20-18(27-2)10-7-11-19(20)28-3/h4-11,16H,12-15H2,1-3H3.
What are the key properties of 1-(2,6-dimethoxybenzoyl)-N-methyl-N-phenylpiperidine-4-carboxamide?
1-(2,6-dimethoxybenzoyl)-N-methyl-N-phenylpiperidine-4-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxybenzoyl)-N-methyl-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 113006226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).