4-pentanoyl-1-phenyl-1,4-diazepan-2-one

C16H22N2O2 — CID 110873832

IUPAC4-pentanoyl-1-phenyl-1,4-diazepan-2-one
SMILESCCCCC(=O)N1CCCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C16H22N2O2/c1-2-3-10-15(19)17-11-7-12-18(16(20)13-17)14-8-5-4-6-9-14/h4-6,8-9H,2-3,7,10-13H2,1H3
InChIKeyFUNUAKDXZYGBSS-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.44
Rot. Bonds4

About 4-pentanoyl-1-phenyl-1,4-diazepan-2-one

4-pentanoyl-1-phenyl-1,4-diazepan-2-one (PubChem CID 110873832) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-pentanoyl-1-phenyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-pentanoyl-1-phenyl-1,4-diazepan-2-one
PubChem CID110873832
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-pentanoyl-1-phenyl-1,4-diazepan-2-one
SMILESCCCCC(=O)N1CCCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C16H22N2O2/c1-2-3-10-15(19)17-11-7-12-18(16(20)13-17)14-8-5-4-6-9-14/h4-6,8-9H,2-3,7,10-13H2,1H3
InChIKeyFUNUAKDXZYGBSS-UHFFFAOYSA-N
XLogP2.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one
CID 110873769
1-phenyl-4-(3-thiophen-2-ylpropanoyl)-1,4-diazepan-2-one
CID 110873874
4-[2-(4-methoxyphenyl)acetyl]-1-phenyl-1,4-diazepan-2-one
CID 110867159
1-phenyl-4-[(4R)-4-piperidin-1-ylpentanoyl]piperazin-2-one
CID 96578207
benzyl 3-oxo-4-phenyl-1,4-diazepane-1-carboxylate
CID 110873869
4-(2-ethylbutanoyl)-1-phenylpiperazin-2-one
CID 70710183
1-(4-methylphenyl)-4-(4-phenylmethoxybutanoyl)piperazin-2-one
CID 70727058
1-[4-[2-(2-chlorophenyl)acetyl]-1,4-diazepan-1-yl]pentan-1-one
CID 110797231
4-(3-chlorobenzoyl)-1-phenyl-1,4-diazepan-2-one
CID 110873861
4-pentanoyl-1,4-diazepan-2-one
CID 62898703
1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
CID 70741232
3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
CID 70776360

Frequently Asked Questions

What is the IUPAC name of 4-pentanoyl-1-phenyl-1,4-diazepan-2-one?
The IUPAC name of 4-pentanoyl-1-phenyl-1,4-diazepan-2-one (CID 110873832) is 4-pentanoyl-1-phenyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-pentanoyl-1-phenyl-1,4-diazepan-2-one?
The canonical SMILES for 4-pentanoyl-1-phenyl-1,4-diazepan-2-one is CCCCC(=O)N1CCCN(c2ccccc2)C(=O)C1.
What is the InChIKey of 4-pentanoyl-1-phenyl-1,4-diazepan-2-one?
The InChIKey is FUNUAKDXZYGBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-3-10-15(19)17-11-7-12-18(16(20)13-17)14-8-5-4-6-9-14/h4-6,8-9H,2-3,7,10-13H2,1H3.
What are the key properties of 4-pentanoyl-1-phenyl-1,4-diazepan-2-one?
4-pentanoyl-1-phenyl-1,4-diazepan-2-one has a molecular weight of 274.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentanoyl-1-phenyl-1,4-diazepan-2-one is sourced from PubChem (CID 110873832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).