2-(1-ethylpiperidin-4-yl)-1-(2-phenylazetidin-1-yl)ethanone

C18H26N2O — CID 72868998

IUPAC2-(1-ethylpiperidin-4-yl)-1-(2-phenylazetidin-1-yl)ethanone
SMILESCCN1CCC(CC(=O)N2CCC2c2ccccc2)CC1
InChIInChI=1S/C18H26N2O/c1-2-19-11-8-15(9-12-19)14-18(21)20-13-10-17(20)16-6-4-3-5-7-16/h3-7,15,17H,2,8-14H2,1H3
InChIKeyGKQLJLOQRCUFTG-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.08
Rot. Bonds4

About 2-(1-ethylpiperidin-4-yl)-1-(2-phenylazetidin-1-yl)ethanone

2-(1-ethylpiperidin-4-yl)-1-(2-phenylazetidin-1-yl)ethanone (PubChem CID 72868998) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-1-(2-phenylazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-1-(2-phenylazetidin-1-yl)ethanone
PubChem CID72868998
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-(1-ethylpiperidin-4-yl)-1-(2-phenylazetidin-1-yl)ethanone
SMILESCCN1CCC(CC(=O)N2CCC2c2ccccc2)CC1
InChIInChI=1S/C18H26N2O/c1-2-19-11-8-15(9-12-19)14-18(21)20-13-10-17(20)16-6-4-3-5-7-16/h3-7,15,17H,2,8-14H2,1H3
InChIKeyGKQLJLOQRCUFTG-UHFFFAOYSA-N
XLogP3.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-1-(2-phenylazetidin-1-yl)ethanone?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-1-(2-phenylazetidin-1-yl)ethanone (CID 72868998) is 2-(1-ethylpiperidin-4-yl)-1-(2-phenylazetidin-1-yl)ethanone.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-1-(2-phenylazetidin-1-yl)ethanone?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-1-(2-phenylazetidin-1-yl)ethanone is CCN1CCC(CC(=O)N2CCC2c2ccccc2)CC1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-1-(2-phenylazetidin-1-yl)ethanone?
The InChIKey is GKQLJLOQRCUFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-19-11-8-15(9-12-19)14-18(21)20-13-10-17(20)16-6-4-3-5-7-16/h3-7,15,17H,2,8-14H2,1H3.
What are the key properties of 2-(1-ethylpiperidin-4-yl)-1-(2-phenylazetidin-1-yl)ethanone?
2-(1-ethylpiperidin-4-yl)-1-(2-phenylazetidin-1-yl)ethanone has a molecular weight of 286.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-1-(2-phenylazetidin-1-yl)ethanone is sourced from PubChem (CID 72868998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).