2-(3-ethylpiperidin-1-yl)-1-(4-methylcyclohexyl)ethanone

C16H29NO — CID 163127778

IUPAC2-(3-ethylpiperidin-1-yl)-1-(4-methylcyclohexyl)ethanone
SMILESCCC1CCCN(CC(=O)C2CCC(C)CC2)C1
InChIInChI=1S/C16H29NO/c1-3-14-5-4-10-17(11-14)12-16(18)15-8-6-13(2)7-9-15/h13-15H,3-12H2,1-2H3
InChIKeyOOBDBGOEDBSFFT-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.50
Rot. Bonds4

About 2-(3-ethylpiperidin-1-yl)-1-(4-methylcyclohexyl)ethanone

2-(3-ethylpiperidin-1-yl)-1-(4-methylcyclohexyl)ethanone (PubChem CID 163127778) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-(3-ethylpiperidin-1-yl)-1-(4-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(3-ethylpiperidin-1-yl)-1-(4-methylcyclohexyl)ethanone
PubChem CID163127778
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-(3-ethylpiperidin-1-yl)-1-(4-methylcyclohexyl)ethanone
SMILESCCC1CCCN(CC(=O)C2CCC(C)CC2)C1
InChIInChI=1S/C16H29NO/c1-3-14-5-4-10-17(11-14)12-16(18)15-8-6-13(2)7-9-15/h13-15H,3-12H2,1-2H3
InChIKeyOOBDBGOEDBSFFT-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-ethylpiperidin-1-yl)-1-(4-methylcyclohexyl)ethanone 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-cyclopropyl-2-(3-methylpiperidin-1-yl)ethanone
CID 63914299
1-cyclopropyl-2-(4-ethylpiperidin-1-yl)ethanone
CID 63913438
N-cyclopentyl-N-cyclopropyl-2-(3-ethylpiperidin-1-yl)acetamide
CID 78897689
1-[4-[hydroxy(oxido)amino]cyclohexyl]-2-(3-methylpiperidin-1-yl)ethanone
CID 163171818
1-(3-methylpiperidin-1-yl)butan-2-one
CID 62039923
cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785
3-ethyl-1-heptylpiperidine
CID 171569576
N-[2-(3-ethylpiperidin-1-yl)ethyl]-4-methylcyclohexan-1-amine
CID 55090197
4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one
CID 66453803
2-cyclopentyl-1-(4-methylcyclohexyl)ethanone
CID 62621954
1-(cyclobutylmethyl)-3-ethylpiperidine
CID 143174975
methyl 2-cyclopropyl-3-(3-ethylpiperidin-1-yl)-2-(methylamino)propanoate
CID 63911312

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpiperidin-1-yl)-1-(4-methylcyclohexyl)ethanone?
The IUPAC name of 2-(3-ethylpiperidin-1-yl)-1-(4-methylcyclohexyl)ethanone (CID 163127778) is 2-(3-ethylpiperidin-1-yl)-1-(4-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-(3-ethylpiperidin-1-yl)-1-(4-methylcyclohexyl)ethanone?
The canonical SMILES for 2-(3-ethylpiperidin-1-yl)-1-(4-methylcyclohexyl)ethanone is CCC1CCCN(CC(=O)C2CCC(C)CC2)C1.
What is the InChIKey of 2-(3-ethylpiperidin-1-yl)-1-(4-methylcyclohexyl)ethanone?
The InChIKey is OOBDBGOEDBSFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-3-14-5-4-10-17(11-14)12-16(18)15-8-6-13(2)7-9-15/h13-15H,3-12H2,1-2H3.
What are the key properties of 2-(3-ethylpiperidin-1-yl)-1-(4-methylcyclohexyl)ethanone?
2-(3-ethylpiperidin-1-yl)-1-(4-methylcyclohexyl)ethanone has a molecular weight of 251.41 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpiperidin-1-yl)-1-(4-methylcyclohexyl)ethanone is sourced from PubChem (CID 163127778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).