1-(2-cyclopentylacetyl)-4-propyl-1,4-diazepan-5-one

C15H26N2O2 — CID 26349680

IUPAC1-(2-cyclopentylacetyl)-4-propyl-1,4-diazepan-5-one
SMILESCCCN1CCN(C(=O)CC2CCCC2)CCC1=O
InChIInChI=1S/C15H26N2O2/c1-2-8-16-10-11-17(9-7-14(16)18)15(19)12-13-5-3-4-6-13/h13H,2-12H2,1H3
InChIKeyHVZRIRPHMGOWPM-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.04
Rot. Bonds4

About 1-(2-cyclopentylacetyl)-4-propyl-1,4-diazepan-5-one

1-(2-cyclopentylacetyl)-4-propyl-1,4-diazepan-5-one (PubChem CID 26349680) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(2-cyclopentylacetyl)-4-propyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(2-cyclopentylacetyl)-4-propyl-1,4-diazepan-5-one
PubChem CID26349680
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(2-cyclopentylacetyl)-4-propyl-1,4-diazepan-5-one
SMILESCCCN1CCN(C(=O)CC2CCCC2)CCC1=O
InChIInChI=1S/C15H26N2O2/c1-2-8-16-10-11-17(9-7-14(16)18)15(19)12-13-5-3-4-6-13/h13H,2-12H2,1H3
InChIKeyHVZRIRPHMGOWPM-UHFFFAOYSA-N
XLogP2.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
CID 103706244
1-(4-phenylbutanoyl)-4-propyl-1,4-diazepan-5-one
CID 26280630
2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 155469719
4-(2-cyclopentylacetyl)piperazine-1-carbaldehyde
CID 110850251
1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone
CID 119313911
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylethanone
CID 39997538
2-cyclopentyl-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80706726
(6R)-8-(2-cyclopentylacetyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97153831
3-[4-(2-cyclohexylacetyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one
CID 91925897
1-(3-cyclopentylpropanoyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 26360727
2-cyclohexyl-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053550
3-[2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 137339191

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylacetyl)-4-propyl-1,4-diazepan-5-one?
The IUPAC name of 1-(2-cyclopentylacetyl)-4-propyl-1,4-diazepan-5-one (CID 26349680) is 1-(2-cyclopentylacetyl)-4-propyl-1,4-diazepan-5-one.
What is the SMILES notation for 1-(2-cyclopentylacetyl)-4-propyl-1,4-diazepan-5-one?
The canonical SMILES for 1-(2-cyclopentylacetyl)-4-propyl-1,4-diazepan-5-one is CCCN1CCN(C(=O)CC2CCCC2)CCC1=O.
What is the InChIKey of 1-(2-cyclopentylacetyl)-4-propyl-1,4-diazepan-5-one?
The InChIKey is HVZRIRPHMGOWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-8-16-10-11-17(9-7-14(16)18)15(19)12-13-5-3-4-6-13/h13H,2-12H2,1H3.
What are the key properties of 1-(2-cyclopentylacetyl)-4-propyl-1,4-diazepan-5-one?
1-(2-cyclopentylacetyl)-4-propyl-1,4-diazepan-5-one has a molecular weight of 266.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylacetyl)-4-propyl-1,4-diazepan-5-one is sourced from PubChem (CID 26349680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).