1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-hydroxyphenyl)ethanone

C15H20N2O3 — CID 78990769

IUPAC1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
SMILESCC(=O)N1CCCN(C(=O)Cc2ccccc2O)CC1
InChIInChI=1S/C15H20N2O3/c1-12(18)16-7-4-8-17(10-9-16)15(20)11-13-5-2-3-6-14(13)19/h2-3,5-6,19H,4,7-11H2,1H3
InChIKeyFWUAQNIOTXQOTO-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.02
Rot. Bonds2

About 1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-hydroxyphenyl)ethanone

1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-hydroxyphenyl)ethanone (PubChem CID 78990769) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
PubChem CID78990769
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
SMILESCC(=O)N1CCCN(C(=O)Cc2ccccc2O)CC1
InChIInChI=1S/C15H20N2O3/c1-12(18)16-7-4-8-17(10-9-16)15(20)11-13-5-2-3-6-14(13)19/h2-3,5-6,19H,4,7-11H2,1H3
InChIKeyFWUAQNIOTXQOTO-UHFFFAOYSA-N
XLogP1.02
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetyl-1,4-diazepan-1-yl)-2-phenylethanone
CID 44603156
1-(4-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78992664
1-(4-acetyl-1,4-diazepan-1-yl)-2-naphthalen-2-ylethanone
CID 134061666
1-(4-tert-butylpiperidin-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78967459
2-(2-hydroxyphenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 80740895
1-[4-[2-(2-methylphenyl)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 110796698
1-[3-(dimethylamino)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 78946629
2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetic acid
CID 80741468
4-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 80722619
1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 60615923
2-(2-hydroxyphenyl)-1-(3-phenylpiperidin-1-yl)ethanone
CID 141126673
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-hydroxyphenyl)ethanone?
The IUPAC name of 1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-hydroxyphenyl)ethanone (CID 78990769) is 1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-hydroxyphenyl)ethanone is CC(=O)N1CCCN(C(=O)Cc2ccccc2O)CC1.
What is the InChIKey of 1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-hydroxyphenyl)ethanone?
The InChIKey is FWUAQNIOTXQOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-12(18)16-7-4-8-17(10-9-16)15(20)11-13-5-2-3-6-14(13)19/h2-3,5-6,19H,4,7-11H2,1H3.
What are the key properties of 1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-hydroxyphenyl)ethanone?
1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-hydroxyphenyl)ethanone has a molecular weight of 276.34 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-hydroxyphenyl)ethanone is sourced from PubChem (CID 78990769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).