2-(4-methylcyclohexyl)oxy-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone

C20H30N2O2 — CID 136538935

IUPAC2-(4-methylcyclohexyl)oxy-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
SMILESCC1CCC(OCC(=O)N2CCC(Cc3cccnc3)CC2)CC1
InChIInChI=1S/C20H30N2O2/c1-16-4-6-19(7-5-16)24-15-20(23)22-11-8-17(9-12-22)13-18-3-2-10-21-14-18/h2-3,10,14,16-17,19H,4-9,11-13,15H2,1H3
InChIKeyXTFCYFBMTLEPGB-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.46
Rot. Bonds5

About 2-(4-methylcyclohexyl)oxy-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone

2-(4-methylcyclohexyl)oxy-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 136538935) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)oxy-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)oxy-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
PubChem CID136538935
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name2-(4-methylcyclohexyl)oxy-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
SMILESCC1CCC(OCC(=O)N2CCC(Cc3cccnc3)CC2)CC1
InChIInChI=1S/C20H30N2O2/c1-16-4-6-19(7-5-16)24-15-20(23)22-11-8-17(9-12-22)13-18-3-2-10-21-14-18/h2-3,10,14,16-17,19H,4-9,11-13,15H2,1H3
InChIKeyXTFCYFBMTLEPGB-UHFFFAOYSA-N
XLogP3.46
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-methylcyclohexyl)oxy-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]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

2-hydroxy-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
CID 110269394
1-(2-cyclopentyloxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 60506587
3-[(4-methylcyclohexyl)oxymethyl]pyridine
CID 142207375
(3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 170372559
2-(oxan-3-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 119068773
3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one
CID 136547554
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
(4S)-1,5,5-trimethyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 126428390
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755
[(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136580768
[4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 136519932
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] pyridine-4-carboxylate
CID 2350843

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)oxy-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-methylcyclohexyl)oxy-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone (CID 136538935) is 2-(4-methylcyclohexyl)oxy-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methylcyclohexyl)oxy-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methylcyclohexyl)oxy-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone is CC1CCC(OCC(=O)N2CCC(Cc3cccnc3)CC2)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)oxy-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is XTFCYFBMTLEPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-16-4-6-19(7-5-16)24-15-20(23)22-11-8-17(9-12-22)13-18-3-2-10-21-14-18/h2-3,10,14,16-17,19H,4-9,11-13,15H2,1H3.
What are the key properties of 2-(4-methylcyclohexyl)oxy-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone?
2-(4-methylcyclohexyl)oxy-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 330.47 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)oxy-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 136538935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).