1-(2,2-dimethylpropanoyl)-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide

C20H30N2O2 — CID 17224500

IUPAC1-(2,2-dimethylpropanoyl)-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(C(=O)C(C)(C)C)CC1)c1cccc(C)c1
InChIInChI=1S/C20H30N2O2/c1-6-22(17-9-7-8-15(2)14-17)18(23)16-10-12-21(13-11-16)19(24)20(3,4)5/h7-9,14,16H,6,10-13H2,1-5H3
InChIKeyYNAJZWANAUHSLO-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.63
Rot. Bonds3

About 1-(2,2-dimethylpropanoyl)-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide

1-(2,2-dimethylpropanoyl)-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide (PubChem CID 17224500) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide
PubChem CID17224500
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-(2,2-dimethylpropanoyl)-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(C(=O)C(C)(C)C)CC1)c1cccc(C)c1
InChIInChI=1S/C20H30N2O2/c1-6-22(17-9-7-8-15(2)14-17)18(23)16-10-12-21(13-11-16)19(24)20(3,4)5/h7-9,14,16H,6,10-13H2,1-5H3
InChIKeyYNAJZWANAUHSLO-UHFFFAOYSA-N
XLogP3.63
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-dimethylpropanoyl)-N-ethyl-N-(3-methylphenyl)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-ethyl-1-(2-methylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113008859
N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
3-(4-acetylpiperazin-1-yl)-N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide
CID 108961312
1-N-butan-2-yl-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145572
4-N-ethyl-4-N-(3-methylphenyl)-1-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144641
1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109147165
3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782796
4-N-ethyl-4-N-(3-methylphenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150509
N-ethyl-N-(3-methylphenyl)thiane-3-carboxamide
CID 110865038
3-amino-N-ethyl-N-(3-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119705842
4-N-ethyl-4-N-(3-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149897
N-ethyl-N-(3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511068

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide (CID 17224500) is 1-(2,2-dimethylpropanoyl)-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide is CCN(C(=O)C1CCN(C(=O)C(C)(C)C)CC1)c1cccc(C)c1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide?
The InChIKey is YNAJZWANAUHSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-6-22(17-9-7-8-15(2)14-17)18(23)16-10-12-21(13-11-16)19(24)20(3,4)5/h7-9,14,16H,6,10-13H2,1-5H3.
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide?
1-(2,2-dimethylpropanoyl)-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 17224500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).