N-(3-amino-4-methoxyphenyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide

C18H27N3O3 — CID 119420343

IUPACN-(3-amino-4-methoxyphenyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide
SMILESCOc1ccc(NC(=O)C(CC(C)C)N2CCCCC2=O)cc1N
InChIInChI=1S/C18H27N3O3/c1-12(2)10-15(21-9-5-4-6-17(21)22)18(23)20-13-7-8-16(24-3)14(19)11-13/h7-8,11-12,15H,4-6,9-10,19H2,1-3H3,(H,20,23)
InChIKeyKAPPGMWISAUQGS-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.64
Rot. Bonds6

About N-(3-amino-4-methoxyphenyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide

N-(3-amino-4-methoxyphenyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide (PubChem CID 119420343) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide
PubChem CID119420343
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-(3-amino-4-methoxyphenyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide
SMILESCOc1ccc(NC(=O)C(CC(C)C)N2CCCCC2=O)cc1N
InChIInChI=1S/C18H27N3O3/c1-12(2)10-15(21-9-5-4-6-17(21)22)18(23)20-13-7-8-16(24-3)14(19)11-13/h7-8,11-12,15H,4-6,9-10,19H2,1-3H3,(H,20,23)
InChIKeyKAPPGMWISAUQGS-UHFFFAOYSA-N
XLogP2.64
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-(2-oxoazepan-1-yl)acetate
CID 8573078
N-(3-amino-4-methoxyphenyl)-2-methylbutanamide
CID 43599878
N-(3-ethyl-4-pyridinyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide
CID 136513896
N-(3-amino-4-methoxyphenyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 119419403
(2S)-2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119724577
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide
CID 119724596
N-(3-amino-4-methoxyphenyl)-2,3,3-trimethylbutanamide
CID 119419413
N-(4-aminocyclohexyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide
CID 119478575
(2R)-2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 119276490
N-(2-amino-2-phenylethyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride
CID 119529433
N-(3-amino-4-methoxyphenyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 119419687
N-(3-amino-4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 119419829

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide (CID 119420343) is N-(3-amino-4-methoxyphenyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide is COc1ccc(NC(=O)C(CC(C)C)N2CCCCC2=O)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide?
The InChIKey is KAPPGMWISAUQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-12(2)10-15(21-9-5-4-6-17(21)22)18(23)20-13-7-8-16(24-3)14(19)11-13/h7-8,11-12,15H,4-6,9-10,19H2,1-3H3,(H,20,23).
What are the key properties of N-(3-amino-4-methoxyphenyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide?
N-(3-amino-4-methoxyphenyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide has a molecular weight of 333.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide is sourced from PubChem (CID 119420343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).