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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Related Compounds

3-phenyl-1-(2-phenylazetidin-1-yl)propan-1-one
CID 47034527
5,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione
CID 72933399
2-[1-[2-(1-ethylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one
CID 146072035
2-(4-benzylpiperidin-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 108995596
1-[2-oxo-2-[(2S)-2-phenylazetidin-1-yl]ethyl]pyrrolidin-2-one
CID 97278240
5-(2-cyclopentylacetyl)-4-phenyl-1,5-diazecan-2-one
CID 110200135
4,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-thiazol-2-one
CID 154745406
3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one
CID 110871522
1-ethyl-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]benzimidazol-2-one
CID 51319062
[(3S,4S)-4-amino-1-(cyclopropylmethyl)piperidin-3-yl]-[(2R)-2-phenylazetidin-1-yl]methanone
CID 134209344
N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide
CID 72894922
(2R)-2-(cyclopropylmethoxy)-1-[(2S)-2-phenylazetidin-1-yl]propan-1-one
CID 95325747

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).