N-(5-tert-butyl-2-methoxyphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide

C25H32N2O3 — CID 7935911

IUPACN-(5-tert-butyl-2-methoxyphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)C1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C25H32N2O3/c1-17-8-6-7-9-20(17)24(29)27-14-12-18(13-15-27)23(28)26-21-16-19(25(2,3)4)10-11-22(21)30-5/h6-11,16,18H,12-15H2,1-5H3,(H,26,28)
InChIKeyPCVZXONROLPHGX-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.79
Rot. Bonds4

About N-(5-tert-butyl-2-methoxyphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide

N-(5-tert-butyl-2-methoxyphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide (PubChem CID 7935911) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
PubChem CID7935911
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)C1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C25H32N2O3/c1-17-8-6-7-9-20(17)24(29)27-14-12-18(13-15-27)23(28)26-21-16-19(25(2,3)4)10-11-22(21)30-5/h6-11,16,18H,12-15H2,1-5H3,(H,26,28)
InChIKeyPCVZXONROLPHGX-UHFFFAOYSA-N
XLogP4.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-tert-butyl-2-methoxyphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide 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-(5-tert-butyl-2-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 7579593
1-(2-chlorobenzoyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 1072822
N-(2,6-dimethylphenyl)-1-(2-methoxybenzoyl)piperidine-4-carboxamide
CID 113006521
N-(2-methoxy-5-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113007595
1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17224335
1-(3,5-dimethoxy-4-methylbenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 33336070
tert-butyl 4-[(2-methoxy-5-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 29206094
1-acetyl-N-(4-tert-butyl-2-methylphenyl)piperidine-4-carboxamide
CID 110793182
N-(2-methoxyphenyl)-1-[2-[(2-methylbenzoyl)amino]acetyl]piperidine-4-carboxamide
CID 55653463
1-(2,4-difluorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 30430699
N-(2-methoxyphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 38646202
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide (CID 7935911) is N-(5-tert-butyl-2-methoxyphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide is COc1ccc(C(C)(C)C)cc1NC(=O)C1CCN(C(=O)c2ccccc2C)CC1.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The InChIKey is PCVZXONROLPHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-17-8-6-7-9-20(17)24(29)27-14-12-18(13-15-27)23(28)26-21-16-19(25(2,3)4)10-11-22(21)30-5/h6-11,16,18H,12-15H2,1-5H3,(H,26,28).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide?
N-(5-tert-butyl-2-methoxyphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide has a molecular weight of 408.54 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 7935911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).