4-(4-cyclohexylbutanoyl)-1,4-diazepan-2-one

C15H26N2O2 — CID 62897580

IUPAC4-(4-cyclohexylbutanoyl)-1,4-diazepan-2-one
SMILESO=C1CN(C(=O)CCCC2CCCCC2)CCCN1
InChIInChI=1S/C15H26N2O2/c18-14-12-17(11-5-10-16-14)15(19)9-4-8-13-6-2-1-3-7-13/h13H,1-12H2,(H,16,18)
InChIKeyPLGTYRFVGDJIBT-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.09
Rot. Bonds4

About 4-(4-cyclohexylbutanoyl)-1,4-diazepan-2-one

4-(4-cyclohexylbutanoyl)-1,4-diazepan-2-one (PubChem CID 62897580) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-(4-cyclohexylbutanoyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(4-cyclohexylbutanoyl)-1,4-diazepan-2-one
PubChem CID62897580
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name4-(4-cyclohexylbutanoyl)-1,4-diazepan-2-one
SMILESO=C1CN(C(=O)CCCC2CCCCC2)CCCN1
InChIInChI=1S/C15H26N2O2/c18-14-12-17(11-5-10-16-14)15(19)9-4-8-13-6-2-1-3-7-13/h13H,1-12H2,(H,16,18)
InChIKeyPLGTYRFVGDJIBT-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-pentanoyl-1,4-diazepan-2-one
CID 62898703
4-(3-piperidin-2-ylpropanoyl)-1,4-diazepan-2-one
CID 65363828
4-[2-(cyclopentylamino)acetyl]-1,4-diazepan-2-one
CID 65366267
1-[3-oxo-3-(3-oxo-1,4-diazepan-1-yl)propyl]pyrrolidine-2,5-dione
CID 62897036
4-(4-phenoxybutanoyl)-1,4-diazepan-2-one
CID 29257758
13-cyclopentyl-1-pyrrolidin-1-yltridecan-1-one
CID 91705040
4-cyclohexyl-1-(3-methylpiperazin-1-yl)butan-1-one
CID 115273103
4-cyclohexyl-1-[(3S)-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 164639816
6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid
CID 43447158
4-cyclohexyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one
CID 80707393
1-[2-[4-(4-cyclohexylbutanoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 55824988
1-(4-cyclohexylbutanoyl)piperidine-4-carboxylic acid
CID 43354138

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylbutanoyl)-1,4-diazepan-2-one?
The IUPAC name of 4-(4-cyclohexylbutanoyl)-1,4-diazepan-2-one (CID 62897580) is 4-(4-cyclohexylbutanoyl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(4-cyclohexylbutanoyl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(4-cyclohexylbutanoyl)-1,4-diazepan-2-one is O=C1CN(C(=O)CCCC2CCCCC2)CCCN1.
What is the InChIKey of 4-(4-cyclohexylbutanoyl)-1,4-diazepan-2-one?
The InChIKey is PLGTYRFVGDJIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c18-14-12-17(11-5-10-16-14)15(19)9-4-8-13-6-2-1-3-7-13/h13H,1-12H2,(H,16,18).
What are the key properties of 4-(4-cyclohexylbutanoyl)-1,4-diazepan-2-one?
4-(4-cyclohexylbutanoyl)-1,4-diazepan-2-one has a molecular weight of 266.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylbutanoyl)-1,4-diazepan-2-one is sourced from PubChem (CID 62897580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).