1-(2,6-dimethoxybenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide

C22H26N2O4 — CID 113006125

IUPAC1-(2,6-dimethoxybenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
SMILESCOc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2cccc(C)c2)CC1
InChIInChI=1S/C22H26N2O4/c1-15-6-4-7-17(14-15)23-21(25)16-10-12-24(13-11-16)22(26)20-18(27-2)8-5-9-19(20)28-3/h4-9,14,16H,10-13H2,1-3H3,(H,23,25)
InChIKeyMJQNTMQPSJMTKT-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.50
Rot. Bonds5

About 1-(2,6-dimethoxybenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide

1-(2,6-dimethoxybenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide (PubChem CID 113006125) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-(2,6-dimethoxybenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,6-dimethoxybenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
PubChem CID113006125
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name1-(2,6-dimethoxybenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
SMILESCOc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2cccc(C)c2)CC1
InChIInChI=1S/C22H26N2O4/c1-15-6-4-7-17(14-15)23-21(25)16-10-12-24(13-11-16)22(26)20-18(27-2)8-5-9-19(20)28-3/h4-9,14,16H,10-13H2,1-3H3,(H,23,25)
InChIKeyMJQNTMQPSJMTKT-UHFFFAOYSA-N
XLogP3.50
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
CID 113008763
N-(3-chloro-4-methoxyphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
CID 126029508
1-(2,6-dimethoxybenzoyl)-N-(4-iodophenyl)piperidine-4-carboxamide
CID 126029057
1-(3,4-dimethylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006126
1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 801213
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
N-(2-methoxyphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 38646202
tert-butyl 4-[(3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 9039069
1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007461
N-(5-chloro-2-methylphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
CID 126025508
N-(3,4-dimethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006439
N-(2-methoxy-5-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113007595

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxybenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,6-dimethoxybenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide (CID 113006125) is 1-(2,6-dimethoxybenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,6-dimethoxybenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,6-dimethoxybenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide is COc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2cccc(C)c2)CC1.
What is the InChIKey of 1-(2,6-dimethoxybenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide?
The InChIKey is MJQNTMQPSJMTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15-6-4-7-17(14-15)23-21(25)16-10-12-24(13-11-16)22(26)20-18(27-2)8-5-9-19(20)28-3/h4-9,14,16H,10-13H2,1-3H3,(H,23,25).
What are the key properties of 1-(2,6-dimethoxybenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide?
1-(2,6-dimethoxybenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxybenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 113006125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).