1-(azetidin-1-yl)-2-(3-fluoro-3-methylpiperidin-1-yl)ethanone

C11H19FN2O — CID 126790320

IUPAC1-(azetidin-1-yl)-2-(3-fluoro-3-methylpiperidin-1-yl)ethanone
SMILESCC1(F)CCCN(CC(=O)N2CCC2)C1
InChIInChI=1S/C11H19FN2O/c1-11(12)4-2-5-13(9-11)8-10(15)14-6-3-7-14/h2-9H2,1H3
InChIKeyGINHDLYIZZHDQH-UHFFFAOYSA-N
MW214.28 g/mol
LogP1.04
Rot. Bonds2

About 1-(azetidin-1-yl)-2-(3-fluoro-3-methylpiperidin-1-yl)ethanone

1-(azetidin-1-yl)-2-(3-fluoro-3-methylpiperidin-1-yl)ethanone (PubChem CID 126790320) has the molecular formula C11H19FN2O and a molecular weight of 214.28 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-(3-fluoro-3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-(3-fluoro-3-methylpiperidin-1-yl)ethanone
PubChem CID126790320
Molecular FormulaC11H19FN2O
Molecular Weight214.28 g/mol
Exact Mass214.15
IUPAC Name1-(azetidin-1-yl)-2-(3-fluoro-3-methylpiperidin-1-yl)ethanone
SMILESCC1(F)CCCN(CC(=O)N2CCC2)C1
InChIInChI=1S/C11H19FN2O/c1-11(12)4-2-5-13(9-11)8-10(15)14-6-3-7-14/h2-9H2,1H3
InChIKeyGINHDLYIZZHDQH-UHFFFAOYSA-N
XLogP1.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azocan-1-yl)-2-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115873988
3-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-3-carbonitrile
CID 131945394
1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 130618835
2-(azetidin-1-yl)-1-(3,3-dimethylazetidin-1-yl)ethanone
CID 127000154
2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 171993161
3-(3-fluoro-3-methylpiperidin-1-yl)propan-1-ol
CID 126793849
2-(3-fluoro-3-methylpiperidin-1-yl)ethanamine
CID 115012585
2-(2,2-dimethylmorpholin-4-yl)-1-piperidin-1-ylethanone
CID 70907050
2-[4-[(3-methylpyrrolidin-3-yl)methyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone;hydrochloride
CID 120898244
(3S)-1-(cyclopropylmethyl)-3-fluoro-3-methylpiperidine
CID 134195634
2-[1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659707

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-(3-fluoro-3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-(3-fluoro-3-methylpiperidin-1-yl)ethanone (CID 126790320) is 1-(azetidin-1-yl)-2-(3-fluoro-3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-(3-fluoro-3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-(3-fluoro-3-methylpiperidin-1-yl)ethanone is CC1(F)CCCN(CC(=O)N2CCC2)C1.
What is the InChIKey of 1-(azetidin-1-yl)-2-(3-fluoro-3-methylpiperidin-1-yl)ethanone?
The InChIKey is GINHDLYIZZHDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O/c1-11(12)4-2-5-13(9-11)8-10(15)14-6-3-7-14/h2-9H2,1H3.
What are the key properties of 1-(azetidin-1-yl)-2-(3-fluoro-3-methylpiperidin-1-yl)ethanone?
1-(azetidin-1-yl)-2-(3-fluoro-3-methylpiperidin-1-yl)ethanone has a molecular weight of 214.28 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-(3-fluoro-3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 126790320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).