3-(azepan-4-yl)-1-phenylpropan-1-one

C15H21NO — CID 142133654

IUPAC3-(azepan-4-yl)-1-phenylpropan-1-one
SMILESO=C(CCC1CCCNCC1)c1ccccc1
InChIInChI=1S/C15H21NO/c17-15(14-6-2-1-3-7-14)9-8-13-5-4-11-16-12-10-13/h1-3,6-7,13,16H,4-5,8-12H2
InChIKeyFHCHXXVWHJTBRQ-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.04
Rot. Bonds4

About 3-(azepan-4-yl)-1-phenylpropan-1-one

3-(azepan-4-yl)-1-phenylpropan-1-one (PubChem CID 142133654) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(azepan-4-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(azepan-4-yl)-1-phenylpropan-1-one
PubChem CID142133654
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-(azepan-4-yl)-1-phenylpropan-1-one
SMILESO=C(CCC1CCCNCC1)c1ccccc1
InChIInChI=1S/C15H21NO/c17-15(14-6-2-1-3-7-14)9-8-13-5-4-11-16-12-10-13/h1-3,6-7,13,16H,4-5,8-12H2
InChIKeyFHCHXXVWHJTBRQ-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-piperidin-4-yl-1-quinolin-3-ylpropan-1-one
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1-(4-cyclobutylphenyl)-3-piperidin-3-ylpropan-1-one
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1-phenyl-3-piperidin-4-yloxypropan-1-one
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3-(3-oxo-3-phenylpropyl)pyrrolidin-2-one
CID 59078984
1-phenyl-2-(3-piperidin-3-ylpropylamino)ethanone
CID 19039430
3-cyclopropyl-1-(4-fluorophenyl)propan-1-one
CID 18507946
3-(3,5-dimethylcyclohexyl)-1-phenylpropan-1-one
CID 64729150
1-(5-fluoro-3-pyridinyl)-3-piperidin-4-ylpropan-1-one
CID 116563479
1-(4-ethylphenyl)-3-pyrrolidin-3-ylpropan-1-one
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2-(3-oxo-3-phenylpropyl)cyclopentane-1,3-dione
CID 101408905

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-4-yl)-1-phenylpropan-1-one?
The IUPAC name of 3-(azepan-4-yl)-1-phenylpropan-1-one (CID 142133654) is 3-(azepan-4-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(azepan-4-yl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(azepan-4-yl)-1-phenylpropan-1-one is O=C(CCC1CCCNCC1)c1ccccc1.
What is the InChIKey of 3-(azepan-4-yl)-1-phenylpropan-1-one?
The InChIKey is FHCHXXVWHJTBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c17-15(14-6-2-1-3-7-14)9-8-13-5-4-11-16-12-10-13/h1-3,6-7,13,16H,4-5,8-12H2.
What are the key properties of 3-(azepan-4-yl)-1-phenylpropan-1-one?
3-(azepan-4-yl)-1-phenylpropan-1-one has a molecular weight of 231.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-4-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 142133654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).