1-[2-[2-[3-(4-fluorophenyl)azetidin-1-yl]ethyl]phenyl]piperidin-2-one

C22H25FN2O — CID 71523359

IUPAC1-[2-[2-[3-(4-fluorophenyl)azetidin-1-yl]ethyl]phenyl]piperidin-2-one
SMILESO=C1CCCCN1c1ccccc1CCN1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C22H25FN2O/c23-20-10-8-17(9-11-20)19-15-24(16-19)14-12-18-5-1-2-6-21(18)25-13-4-3-7-22(25)26/h1-2,5-6,8-11,19H,3-4,7,12-16H2
InChIKeyVUAYQFJHQKEPQX-UHFFFAOYSA-N
MW352.45 g/mol
LogP3.98
Rot. Bonds5

About 1-[2-[2-[3-(4-fluorophenyl)azetidin-1-yl]ethyl]phenyl]piperidin-2-one

1-[2-[2-[3-(4-fluorophenyl)azetidin-1-yl]ethyl]phenyl]piperidin-2-one (PubChem CID 71523359) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is 1-[2-[2-[3-(4-fluorophenyl)azetidin-1-yl]ethyl]phenyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[2-[3-(4-fluorophenyl)azetidin-1-yl]ethyl]phenyl]piperidin-2-one
PubChem CID71523359
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name1-[2-[2-[3-(4-fluorophenyl)azetidin-1-yl]ethyl]phenyl]piperidin-2-one
SMILESO=C1CCCCN1c1ccccc1CCN1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C22H25FN2O/c23-20-10-8-17(9-11-20)19-15-24(16-19)14-12-18-5-1-2-6-21(18)25-13-4-3-7-22(25)26/h1-2,5-6,8-11,19H,3-4,7,12-16H2
InChIKeyVUAYQFJHQKEPQX-UHFFFAOYSA-N
XLogP3.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[2-[3-(2-fluorophenyl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one
CID 71523159
4-[1-[2-[2-(2-oxopiperidin-1-yl)phenyl]ethyl]piperidin-3-yl]benzonitrile
CID 71523568
oxalic acid;1-[2-[2-[3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one
CID 71523076
1-[2-[2-[3-(oxan-3-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one
CID 71522744
1-[2-(hydroxymethyl)phenyl]piperidin-2-one
CID 100933154
3-[2-(2-oxopiperidin-1-yl)phenyl]propanoic acid
CID 107273661
1-[3-[2-[3-(4-fluorophenoxy)azetidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one;oxalic acid
CID 71522827
methyl 2-[1-[2-[2-(2-oxopiperidin-1-yl)phenyl]ethyl]pyrrolidin-3-yl]acetate;2-[1-[2-[2-(2-oxopiperidin-1-yl)phenyl]ethyl]pyrrolidin-3-yl]acetic acid;1-[2-[2-[3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one
CID 159025527
1-[3-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]-2-pyridinyl]piperidin-2-one
CID 71522485
1-(2,3-difluorophenyl)azepan-2-one
CID 141144880
1-[3-[2-[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one
CID 71523005
1-(4-fluoro-2-iodophenyl)azepan-2-one
CID 79765997

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[3-(4-fluorophenyl)azetidin-1-yl]ethyl]phenyl]piperidin-2-one?
The IUPAC name of 1-[2-[2-[3-(4-fluorophenyl)azetidin-1-yl]ethyl]phenyl]piperidin-2-one (CID 71523359) is 1-[2-[2-[3-(4-fluorophenyl)azetidin-1-yl]ethyl]phenyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[2-[3-(4-fluorophenyl)azetidin-1-yl]ethyl]phenyl]piperidin-2-one?
The canonical SMILES for 1-[2-[2-[3-(4-fluorophenyl)azetidin-1-yl]ethyl]phenyl]piperidin-2-one is O=C1CCCCN1c1ccccc1CCN1CC(c2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-[2-[3-(4-fluorophenyl)azetidin-1-yl]ethyl]phenyl]piperidin-2-one?
The InChIKey is VUAYQFJHQKEPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c23-20-10-8-17(9-11-20)19-15-24(16-19)14-12-18-5-1-2-6-21(18)25-13-4-3-7-22(25)26/h1-2,5-6,8-11,19H,3-4,7,12-16H2.
What are the key properties of 1-[2-[2-[3-(4-fluorophenyl)azetidin-1-yl]ethyl]phenyl]piperidin-2-one?
1-[2-[2-[3-(4-fluorophenyl)azetidin-1-yl]ethyl]phenyl]piperidin-2-one has a molecular weight of 352.45 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[3-(4-fluorophenyl)azetidin-1-yl]ethyl]phenyl]piperidin-2-one is sourced from PubChem (CID 71523359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).