2-cyclohexyl-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone

C18H26N2O — CID 22585642

IUPAC2-cyclohexyl-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
SMILESO=C(CC1CCCCC1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C18H26N2O/c21-18(14-15-4-2-1-3-5-15)20-12-8-17(9-13-20)16-6-10-19-11-7-16/h6-7,10-11,15,17H,1-5,8-9,12-14H2
InChIKeyFEXLDRXEKFWYCV-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.76
Rot. Bonds3

About 2-cyclohexyl-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone

2-cyclohexyl-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone (PubChem CID 22585642) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-cyclohexyl-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
PubChem CID22585642
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-cyclohexyl-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
SMILESO=C(CC1CCCCC1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C18H26N2O/c21-18(14-15-4-2-1-3-5-15)20-12-8-17(9-13-20)16-6-10-19-11-7-16/h6-7,10-11,15,17H,1-5,8-9,12-14H2
InChIKeyFEXLDRXEKFWYCV-UHFFFAOYSA-N
XLogP3.76
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-1-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 68819337
2-cyclopentyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 72915173
2-cyclopentyl-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 93480750
2-propoxy-1-(4-pyridin-4-ylazepan-1-yl)ethanone
CID 136560407
2-cyclohexyl-1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 46974021
1-[3-(4-chlorophenyl)azepan-1-yl]-2-cyclohexylethanone
CID 121146455
2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 124750043
1-[(4aR,8aR)-4-(pyridin-4-ylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-2-cyclopentylethanone
CID 124795101
N-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]phenyl]-1-pyridazin-4-ylpyrrolidine-3-carboxamide
CID 140621400
2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 78768063
2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 806694
4-pyrazol-1-yl-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one
CID 135113601

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone (CID 22585642) is 2-cyclohexyl-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone is O=C(CC1CCCCC1)N1CCC(c2ccncc2)CC1.
What is the InChIKey of 2-cyclohexyl-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone?
The InChIKey is FEXLDRXEKFWYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c21-18(14-15-4-2-1-3-5-15)20-12-8-17(9-13-20)16-6-10-19-11-7-16/h6-7,10-11,15,17H,1-5,8-9,12-14H2.
What are the key properties of 2-cyclohexyl-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone?
2-cyclohexyl-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone has a molecular weight of 286.42 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 22585642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).