3-phenyl-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one

C17H18N2O — CID 56907792

IUPAC3-phenyl-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one
SMILESO=C(CCc1ccccc1)N1CC(c2cccnc2)C1
InChIInChI=1S/C17H18N2O/c20-17(9-8-14-5-2-1-3-6-14)19-12-16(13-19)15-7-4-10-18-11-15/h1-7,10-11,16H,8-9,12-13H2
InChIKeySLDTVUQFVOANQS-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.64
Rot. Bonds4

About 3-phenyl-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one

3-phenyl-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one (PubChem CID 56907792) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-phenyl-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one
PubChem CID56907792
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-phenyl-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one
SMILESO=C(CCc1ccccc1)N1CC(c2cccnc2)C1
InChIInChI=1S/C17H18N2O/c20-17(9-8-14-5-2-1-3-6-14)19-12-16(13-19)15-7-4-10-18-11-15/h1-7,10-11,16H,8-9,12-13H2
InChIKeySLDTVUQFVOANQS-UHFFFAOYSA-N
XLogP2.64
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 96574284
1-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
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3-phenyl-1-[3-(pyrimidin-4-ylamino)azetidin-1-yl]propan-1-one
CID 166315716
1-[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-3-pyridin-3-ylpropan-1-one
CID 72696638
(3S,4R)-4-pyridin-3-yl-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 70708658
1-(3-benzylazetidin-1-yl)-3-phenylpropan-1-one
CID 47082882
1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 110853162
(2-benzyl-1,3-thiazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone
CID 70751823
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 120749289
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 120742335

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one?
The IUPAC name of 3-phenyl-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one (CID 56907792) is 3-phenyl-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one.
What is the SMILES notation for 3-phenyl-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one?
The canonical SMILES for 3-phenyl-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one is O=C(CCc1ccccc1)N1CC(c2cccnc2)C1.
What is the InChIKey of 3-phenyl-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one?
The InChIKey is SLDTVUQFVOANQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c20-17(9-8-14-5-2-1-3-6-14)19-12-16(13-19)15-7-4-10-18-11-15/h1-7,10-11,16H,8-9,12-13H2.
What are the key properties of 3-phenyl-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one?
3-phenyl-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one has a molecular weight of 266.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one is sourced from PubChem (CID 56907792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).