1-(4-methylazepan-1-yl)-3-phenylpropan-2-one

C16H23NO — CID 63623746

IUPAC1-(4-methylazepan-1-yl)-3-phenylpropan-2-one
SMILESCC1CCCN(CC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C16H23NO/c1-14-6-5-10-17(11-9-14)13-16(18)12-15-7-3-2-4-8-15/h2-4,7-8,14H,5-6,9-13H2,1H3
InChIKeyGEVSTKNPCLGKLS-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.92
Rot. Bonds4

About 1-(4-methylazepan-1-yl)-3-phenylpropan-2-one

1-(4-methylazepan-1-yl)-3-phenylpropan-2-one (PubChem CID 63623746) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(4-methylazepan-1-yl)-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-(4-methylazepan-1-yl)-3-phenylpropan-2-one
PubChem CID63623746
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(4-methylazepan-1-yl)-3-phenylpropan-2-one
SMILESCC1CCCN(CC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C16H23NO/c1-14-6-5-10-17(11-9-14)13-16(18)12-15-7-3-2-4-8-15/h2-4,7-8,14H,5-6,9-13H2,1H3
InChIKeyGEVSTKNPCLGKLS-UHFFFAOYSA-N
XLogP2.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-methylazepan-1-yl)-3-phenylpropan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(azepan-1-yl)-3-phenylpropan-2-one
CID 43794492
2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanone
CID 63622437
1-(2-methylpiperidin-1-yl)-3-phenylpropan-2-one
CID 43794410
1-(2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanone
CID 63623184
1-(4-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-2-one
CID 81102981
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-2-one
CID 62777093
3-(4-methylazepan-1-yl)-1-phenylpropan-1-one
CID 55249403
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one
CID 62063106
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one
CID 55038005
2-(4-methylazepan-1-yl)-1-thiophen-2-ylethanone
CID 63622264
2-(4-methylpiperidin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8543566

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylazepan-1-yl)-3-phenylpropan-2-one?
The IUPAC name of 1-(4-methylazepan-1-yl)-3-phenylpropan-2-one (CID 63623746) is 1-(4-methylazepan-1-yl)-3-phenylpropan-2-one.
What is the SMILES notation for 1-(4-methylazepan-1-yl)-3-phenylpropan-2-one?
The canonical SMILES for 1-(4-methylazepan-1-yl)-3-phenylpropan-2-one is CC1CCCN(CC(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-methylazepan-1-yl)-3-phenylpropan-2-one?
The InChIKey is GEVSTKNPCLGKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-14-6-5-10-17(11-9-14)13-16(18)12-15-7-3-2-4-8-15/h2-4,7-8,14H,5-6,9-13H2,1H3.
What are the key properties of 1-(4-methylazepan-1-yl)-3-phenylpropan-2-one?
1-(4-methylazepan-1-yl)-3-phenylpropan-2-one has a molecular weight of 245.37 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylazepan-1-yl)-3-phenylpropan-2-one is sourced from PubChem (CID 63623746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).