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

C16H23NO — CID 55249403

IUPAC3-(4-methylazepan-1-yl)-1-phenylpropan-1-one
SMILESCC1CCCN(CCC(=O)c2ccccc2)CC1
InChIInChI=1S/C16H23NO/c1-14-6-5-11-17(12-9-14)13-10-16(18)15-7-3-2-4-8-15/h2-4,7-8,14H,5-6,9-13H2,1H3
InChIKeyRHVXRYFSFPJMNQ-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.38
Rot. Bonds4

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

3-(4-methylazepan-1-yl)-1-phenylpropan-1-one (PubChem CID 55249403) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-(4-methylazepan-1-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(4-methylazepan-1-yl)-1-phenylpropan-1-one
PubChem CID55249403
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-(4-methylazepan-1-yl)-1-phenylpropan-1-one
SMILESCC1CCCN(CCC(=O)c2ccccc2)CC1
InChIInChI=1S/C16H23NO/c1-14-6-5-11-17(12-9-14)13-10-16(18)15-7-3-2-4-8-15/h2-4,7-8,14H,5-6,9-13H2,1H3
InChIKeyRHVXRYFSFPJMNQ-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-3-(4-methylazepan-1-yl)propan-1-one
CID 63624671
3-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)propan-1-one
CID 82051046
3-(4-tert-butylpiperidin-1-yl)-1-phenylpropan-1-one
CID 62614079
1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62614251
3-(3-methoxypiperidin-1-yl)-1-phenylpropan-1-one
CID 103935591
1-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 24761516
3-[2-(4-methylazepan-1-yl)ethoxy]benzoic acid
CID 63624650
3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride
CID 21231581
2-[2-(4-methylazepan-1-yl)ethoxy]benzoic acid
CID 63622429
3-(4-cyclohexylpiperazin-1-yl)-1-phenylpropan-1-one
CID 166604154
2-[1-(3-oxo-3-phenylpropyl)piperidin-4-yl]acetamide
CID 115926022
1-phenyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115928063

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylazepan-1-yl)-1-phenylpropan-1-one?
The IUPAC name of 3-(4-methylazepan-1-yl)-1-phenylpropan-1-one (CID 55249403) is 3-(4-methylazepan-1-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(4-methylazepan-1-yl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(4-methylazepan-1-yl)-1-phenylpropan-1-one is CC1CCCN(CCC(=O)c2ccccc2)CC1.
What is the InChIKey of 3-(4-methylazepan-1-yl)-1-phenylpropan-1-one?
The InChIKey is RHVXRYFSFPJMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-14-6-5-11-17(12-9-14)13-10-16(18)15-7-3-2-4-8-15/h2-4,7-8,14H,5-6,9-13H2,1H3.
What are the key properties of 3-(4-methylazepan-1-yl)-1-phenylpropan-1-one?
3-(4-methylazepan-1-yl)-1-phenylpropan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylazepan-1-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 55249403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).