1-[2-[1-(2-ethoxy-5-methylphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide

C19H27N3O4 — CID 108510642

IUPAC1-[2-[1-(2-ethoxy-5-methylphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide
SMILESCCOc1ccc(C)cc1C(C)NC(=O)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C19H27N3O4/c1-4-26-16-6-5-12(2)11-15(16)13(3)21-18(24)19(25)22-9-7-14(8-10-22)17(20)23/h5-6,11,13-14H,4,7-10H2,1-3H3,(H2,20,23)(H,21,24)
InChIKeyWWDSMGCKDVFZKD-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.29
Rot. Bonds5

About 1-[2-[1-(2-ethoxy-5-methylphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide

1-[2-[1-(2-ethoxy-5-methylphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide (PubChem CID 108510642) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 1-[2-[1-(2-ethoxy-5-methylphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[1-(2-ethoxy-5-methylphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide
PubChem CID108510642
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name1-[2-[1-(2-ethoxy-5-methylphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide
SMILESCCOc1ccc(C)cc1C(C)NC(=O)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C19H27N3O4/c1-4-26-16-6-5-12(2)11-15(16)13(3)21-18(24)19(25)22-9-7-14(8-10-22)17(20)23/h5-6,11,13-14H,4,7-10H2,1-3H3,(H2,20,23)(H,21,24)
InChIKeyWWDSMGCKDVFZKD-UHFFFAOYSA-N
XLogP1.29
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-[1-(2-ethoxy-5-methylphenyl)ethylamino]-2-oxoacetyl]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-[1-(2-ethoxy-5-methylphenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 108510494
N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108510629
ethyl 4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 17459653
1-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 56808444
N-[1-(2-ethoxy-5-methylphenyl)ethyl]-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108510678
(Z)-2-cyano-3-(cyclopropylamino)-N-[1-(2-ethoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 108847917
N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-pyrimidin-2-yloxamide
CID 108510519
1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide
CID 976244
(Z)-2-cyano-N-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]prop-2-enamide
CID 108847711
(Z)-2-cyano-N-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-(4-methylpiperazin-1-yl)prop-2-enamide
CID 108847774
4-[[(1R)-1-(2-ethoxy-5-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 42219989
N-(3-acetamidophenyl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide
CID 108510568

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2-ethoxy-5-methylphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[1-(2-ethoxy-5-methylphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide (CID 108510642) is 1-[2-[1-(2-ethoxy-5-methylphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[1-(2-ethoxy-5-methylphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[1-(2-ethoxy-5-methylphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide is CCOc1ccc(C)cc1C(C)NC(=O)C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-[1-(2-ethoxy-5-methylphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide?
The InChIKey is WWDSMGCKDVFZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-4-26-16-6-5-12(2)11-15(16)13(3)21-18(24)19(25)22-9-7-14(8-10-22)17(20)23/h5-6,11,13-14H,4,7-10H2,1-3H3,(H2,20,23)(H,21,24).
What are the key properties of 1-[2-[1-(2-ethoxy-5-methylphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide?
1-[2-[1-(2-ethoxy-5-methylphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2-ethoxy-5-methylphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide is sourced from PubChem (CID 108510642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).