N-(2-methoxy-5-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide

C22H26N2O3 — CID 113007595

IUPACN-(2-methoxy-5-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCN(C(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C22H26N2O3/c1-15-5-4-6-18(13-15)22(26)24-11-9-17(10-12-24)21(25)23-19-14-16(2)7-8-20(19)27-3/h4-8,13-14,17H,9-12H2,1-3H3,(H,23,25)
InChIKeyCYMULOZIGCTCIE-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.80
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide

N-(2-methoxy-5-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide (PubChem CID 113007595) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
PubChem CID113007595
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-(2-methoxy-5-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCN(C(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C22H26N2O3/c1-15-5-4-6-18(13-15)22(26)24-11-9-17(10-12-24)21(25)23-19-14-16(2)7-8-20(19)27-3/h4-8,13-14,17H,9-12H2,1-3H3,(H,23,25)
InChIKeyCYMULOZIGCTCIE-UHFFFAOYSA-N
XLogP3.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 38646202
methyl 2-[[1-(3-methylbenzoyl)piperidine-4-carbonyl]amino]benzoate
CID 113007945
tert-butyl 4-[(2-methoxy-5-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 29206094
N-(2,6-dimethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006519
1-(2,4-difluorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 30430699
N-(3,4-dimethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006439
N-(4-chloro-2-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113007275
N-(2-methoxy-5-methylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007591
1-(3,5-dimethoxy-4-methylbenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 33336070
1-(3,4-dimethoxybenzoyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 113006178
1-(3,5-dimethoxybenzoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 46472676
N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 893526

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide (CID 113007595) is N-(2-methoxy-5-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide is COc1ccc(C)cc1NC(=O)C1CCN(C(=O)c2cccc(C)c2)CC1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide?
The InChIKey is CYMULOZIGCTCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15-5-4-6-18(13-15)22(26)24-11-9-17(10-12-24)21(25)23-19-14-16(2)7-8-20(19)27-3/h4-8,13-14,17H,9-12H2,1-3H3,(H,23,25).
What are the key properties of N-(2-methoxy-5-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide?
N-(2-methoxy-5-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113007595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).