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

C19H28N2O3 — CID 113007591

IUPACN-(2-methoxy-5-methylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C19H28N2O3/c1-13(2)11-18(22)21-9-7-15(8-10-21)19(23)20-16-12-14(3)5-6-17(16)24-4/h5-6,12-13,15H,7-11H2,1-4H3,(H,20,23)
InChIKeyQJJJDIUYDAJAAB-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.23
Rot. Bonds5

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

N-(2-methoxy-5-methylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide (PubChem CID 113007591) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
PubChem CID113007591
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-(2-methoxy-5-methylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C19H28N2O3/c1-13(2)11-18(22)21-9-7-15(8-10-21)19(23)20-16-12-14(3)5-6-17(16)24-4/h5-6,12-13,15H,7-11H2,1-4H3,(H,20,23)
InChIKeyQJJJDIUYDAJAAB-UHFFFAOYSA-N
XLogP3.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[(2-methoxy-5-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 29206094
N-(2-methoxy-5-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113007595
1-N-(2-methoxy-5-methylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144583
N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 893526
1-(3-methylbutanoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006115
N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147450
N-(2-methoxy-5-methylphenyl)-1-propylsulfonylpiperidine-4-carboxamide
CID 113007617
1-[(4-chlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 45015995
1-(2,4-difluorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 30430699
1-butanoyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 113007690
1-(3,3-diphenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 38646196
N-(2-ethoxyphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007533

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide (CID 113007591) is N-(2-methoxy-5-methylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide is COc1ccc(C)cc1NC(=O)C1CCN(C(=O)CC(C)C)CC1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide?
The InChIKey is QJJJDIUYDAJAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13(2)11-18(22)21-9-7-15(8-10-21)19(23)20-16-12-14(3)5-6-17(16)24-4/h5-6,12-13,15H,7-11H2,1-4H3,(H,20,23).
What are the key properties of N-(2-methoxy-5-methylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide?
N-(2-methoxy-5-methylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 3.23, 5 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-methylbutanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113007591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).