1-[3-(4-ethylphenyl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide

C19H28N2O2 — CID 84514231

IUPAC1-[3-(4-ethylphenyl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCCc1ccc(CCC(=O)N2CCC(C(=O)N(C)C)CC2)cc1
InChIInChI=1S/C19H28N2O2/c1-4-15-5-7-16(8-6-15)9-10-18(22)21-13-11-17(12-14-21)19(23)20(2)3/h5-8,17H,4,9-14H2,1-3H3
InChIKeyQAVFYGDLRMGQFM-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.51
Rot. Bonds5

About 1-[3-(4-ethylphenyl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide

1-[3-(4-ethylphenyl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 84514231) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-[3-(4-ethylphenyl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-ethylphenyl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID84514231
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name1-[3-(4-ethylphenyl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCCc1ccc(CCC(=O)N2CCC(C(=O)N(C)C)CC2)cc1
InChIInChI=1S/C19H28N2O2/c1-4-15-5-7-16(8-6-15)9-10-18(22)21-13-11-17(12-14-21)19(23)20(2)3/h5-8,17H,4,9-14H2,1-3H3
InChIKeyQAVFYGDLRMGQFM-UHFFFAOYSA-N
XLogP2.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-(4-ethylphenyl)propanoyl]-N,N-dimethylpiperidine-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

1-[3-(4-methoxyphenyl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 110350832
1-(4-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one;hydrochloride
CID 119374555
3-(4-ethylphenyl)-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 110749751
4-[3-[4-[butyl(methyl)carbamoyl]piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 119181832
3-(4-ethylphenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25474786
1-[4-(dimethylamino)piperidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 110483853
3-[4-(dimethylamino)phenyl]-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43416045
1-(4-hydroxybutanoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 79200392
4-[3-[4-[acetyl(methyl)amino]piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 119182756
1-(2-hydroxyacetyl)-N,N-dimethylpiperidine-4-carboxamide
CID 170068801
1-(4-hydroxypentanoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 79200487
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46409786

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethylphenyl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-ethylphenyl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide (CID 84514231) is 1-[3-(4-ethylphenyl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-ethylphenyl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-ethylphenyl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide is CCc1ccc(CCC(=O)N2CCC(C(=O)N(C)C)CC2)cc1.
What is the InChIKey of 1-[3-(4-ethylphenyl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is QAVFYGDLRMGQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-4-15-5-7-16(8-6-15)9-10-18(22)21-13-11-17(12-14-21)19(23)20(2)3/h5-8,17H,4,9-14H2,1-3H3.
What are the key properties of 1-[3-(4-ethylphenyl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide?
1-[3-(4-ethylphenyl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethylphenyl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 84514231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).