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

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Rogletimide
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(4R)-1-[(3-methyl-4-pyridinyl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one
CID 139953895
(2E,6E)-2,6-bis(pyridin-4-ylmethylene)cyclohexanone
CID 6018993
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CID 44430519
R-(+)-Cotinine
CID 21907
Ro 23-7637
CID 129491
Adamantane-1-carboxylic acid (pyridin-3-ylmethyl)-amide
CID 585624
Piberaline
CID 65975

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).