1-(3-benzylazetidin-1-yl)-3-phenylpropan-1-one

C19H21NO — CID 47082882

IUPAC1-(3-benzylazetidin-1-yl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CC(Cc2ccccc2)C1
InChIInChI=1S/C19H21NO/c21-19(12-11-16-7-3-1-4-8-16)20-14-18(15-20)13-17-9-5-2-6-10-17/h1-10,18H,11-15H2
InChIKeyXBBPRMDHFOMBCM-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.32
Rot. Bonds5

About 1-(3-benzylazetidin-1-yl)-3-phenylpropan-1-one

1-(3-benzylazetidin-1-yl)-3-phenylpropan-1-one (PubChem CID 47082882) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(3-benzylazetidin-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(3-benzylazetidin-1-yl)-3-phenylpropan-1-one
PubChem CID47082882
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-(3-benzylazetidin-1-yl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CC(Cc2ccccc2)C1
InChIInChI=1S/C19H21NO/c21-19(12-11-16-7-3-1-4-8-16)20-14-18(15-20)13-17-9-5-2-6-10-17/h1-10,18H,11-15H2
InChIKeyXBBPRMDHFOMBCM-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-aminoazetidin-1-yl)-4-phenylbutan-1-one
CID 63753831
1-[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-3-phenylpropan-1-one
CID 72696506
1-[3-(2-bromoethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 114801409
2-methyl-1-[2-(3-phenylpropanoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
CID 134071367
1-[3-[(4-bromopyrazol-1-yl)methyl]azetidin-1-yl]-3-phenylpropan-1-one
CID 146080445
1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-phenylpropan-1-one
CID 90594832
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119260619
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 120749289
2-[1-[3-(4-fluorophenyl)propanoyl]azetidin-3-yl]acetic acid
CID 64604563
1-(3-benzylazetidin-1-yl)-3-phenylpentan-1-one
CID 67289403
4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]benzenecarboximidamide
CID 158136961
3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 124971365

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzylazetidin-1-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(3-benzylazetidin-1-yl)-3-phenylpropan-1-one (CID 47082882) is 1-(3-benzylazetidin-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(3-benzylazetidin-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(3-benzylazetidin-1-yl)-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CC(Cc2ccccc2)C1.
What is the InChIKey of 1-(3-benzylazetidin-1-yl)-3-phenylpropan-1-one?
The InChIKey is XBBPRMDHFOMBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c21-19(12-11-16-7-3-1-4-8-16)20-14-18(15-20)13-17-9-5-2-6-10-17/h1-10,18H,11-15H2.
What are the key properties of 1-(3-benzylazetidin-1-yl)-3-phenylpropan-1-one?
1-(3-benzylazetidin-1-yl)-3-phenylpropan-1-one has a molecular weight of 279.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzylazetidin-1-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 47082882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).