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

C21H25NO — CID 67289403

IUPAC1-(3-benzylazetidin-1-yl)-3-phenylpentan-1-one
SMILESCCC(CC(=O)N1CC(Cc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C21H25NO/c1-2-19(20-11-7-4-8-12-20)14-21(23)22-15-18(16-22)13-17-9-5-3-6-10-17/h3-12,18-19H,2,13-16H2,1H3
InChIKeyYEBLAPNIEHYURZ-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.27
Rot. Bonds6

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

1-(3-benzylazetidin-1-yl)-3-phenylpentan-1-one (PubChem CID 67289403) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-(3-benzylazetidin-1-yl)-3-phenylpentan-1-one.

Molecular Properties

Compound Name1-(3-benzylazetidin-1-yl)-3-phenylpentan-1-one
PubChem CID67289403
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name1-(3-benzylazetidin-1-yl)-3-phenylpentan-1-one
SMILESCCC(CC(=O)N1CC(Cc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C21H25NO/c1-2-19(20-11-7-4-8-12-20)14-21(23)22-15-18(16-22)13-17-9-5-3-6-10-17/h3-12,18-19H,2,13-16H2,1H3
InChIKeyYEBLAPNIEHYURZ-UHFFFAOYSA-N
XLogP4.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-phenylpentanoyl)piperidine-3-carboxylic acid
CID 119167620
1-(3-benzylazetidin-1-yl)-3-phenylpropan-1-one
CID 47082882
1-[(3R)-3-aminopyrrolidin-1-yl]-3,4-diphenylbutan-1-one;hydrochloride
CID 119411312
(3R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-3-phenylpentan-1-one
CID 124859480
1-[3-(methylaminomethyl)piperidin-1-yl]-3,4-diphenylbutan-1-one
CID 119396870
ethane;3-phenylpentanoic acid
CID 142147200
(2R)-1-(3-phenylpentanoyl)pyrrolidine-2-carboxylic acid
CID 119372031
1-(3-aminopiperidin-1-yl)-3-(4-methylphenyl)pentan-1-one;hydrochloride
CID 119377565
2-[1-(3,4-diphenylbutanoyl)piperidin-4-yl]acetic acid
CID 119178891
1-(3-aminoazetidin-1-yl)-2-phenylbutan-1-one
CID 63753267
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 7322462
(3R)-1,3-diphenylpentan-1-one
CID 11042799

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzylazetidin-1-yl)-3-phenylpentan-1-one?
The IUPAC name of 1-(3-benzylazetidin-1-yl)-3-phenylpentan-1-one (CID 67289403) is 1-(3-benzylazetidin-1-yl)-3-phenylpentan-1-one.
What is the SMILES notation for 1-(3-benzylazetidin-1-yl)-3-phenylpentan-1-one?
The canonical SMILES for 1-(3-benzylazetidin-1-yl)-3-phenylpentan-1-one is CCC(CC(=O)N1CC(Cc2ccccc2)C1)c1ccccc1.
What is the InChIKey of 1-(3-benzylazetidin-1-yl)-3-phenylpentan-1-one?
The InChIKey is YEBLAPNIEHYURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-2-19(20-11-7-4-8-12-20)14-21(23)22-15-18(16-22)13-17-9-5-3-6-10-17/h3-12,18-19H,2,13-16H2,1H3.
What are the key properties of 1-(3-benzylazetidin-1-yl)-3-phenylpentan-1-one?
1-(3-benzylazetidin-1-yl)-3-phenylpentan-1-one has a molecular weight of 307.44 g/mol, XLogP of 4.27, 6 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-phenylpentan-1-one is sourced from PubChem (CID 67289403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).