1-(3-aminocyclopentanecarbonyl)-1,4-diazepan-5-one

C11H19N3O2 — CID 66008813

IUPAC1-(3-aminocyclopentanecarbonyl)-1,4-diazepan-5-one
SMILESNC1CCC(C(=O)N2CCNC(=O)CC2)C1
InChIInChI=1S/C11H19N3O2/c12-9-2-1-8(7-9)11(16)14-5-3-10(15)13-4-6-14/h8-9H,1-7,12H2,(H,13,15)
InChIKeyXDTKPSHCUKUWMD-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.54
Rot. Bonds1

About 1-(3-aminocyclopentanecarbonyl)-1,4-diazepan-5-one

1-(3-aminocyclopentanecarbonyl)-1,4-diazepan-5-one (PubChem CID 66008813) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(3-aminocyclopentanecarbonyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(3-aminocyclopentanecarbonyl)-1,4-diazepan-5-one
PubChem CID66008813
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-(3-aminocyclopentanecarbonyl)-1,4-diazepan-5-one
SMILESNC1CCC(C(=O)N2CCNC(=O)CC2)C1
InChIInChI=1S/C11H19N3O2/c12-9-2-1-8(7-9)11(16)14-5-3-10(15)13-4-6-14/h8-9H,1-7,12H2,(H,13,15)
InChIKeyXDTKPSHCUKUWMD-UHFFFAOYSA-N
XLogP-0.54
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-aminocyclopentanecarbonyl)-1,4-diazepan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-aminocyclopentanecarbonyl)piperazin-2-one
CID 66030479
1-(2-methylpiperidine-4-carbonyl)-1,4-diazepan-5-one
CID 106740000
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843
(3-aminocyclopentyl)-(azetidin-1-yl)methanone
CID 130546940
1-(2-amino-5-methylcyclohexanecarbonyl)-1,4-diazepan-5-one
CID 65456250
4-(3-aminocyclohexanecarbonyl)-1,4-diazepan-2-one
CID 65366606
1-(1-methylsulfonylpiperidine-4-carbonyl)-1,4-diazepan-5-one
CID 62045564
1-[3-(4-aminocyclohexyl)propanoyl]-1,4-diazepan-5-one
CID 63002982
3-(3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103549664
1-(adamantane-2-carbonyl)-1,4-diazepan-5-one
CID 78980747
1-(3-aminocyclopentanecarbonyl)piperidine-4-carboxamide
CID 66030476
4-(4-aminocyclohexanecarbonyl)-1,4-diazepan-2-one
CID 65366220

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclopentanecarbonyl)-1,4-diazepan-5-one?
The IUPAC name of 1-(3-aminocyclopentanecarbonyl)-1,4-diazepan-5-one (CID 66008813) is 1-(3-aminocyclopentanecarbonyl)-1,4-diazepan-5-one.
What is the SMILES notation for 1-(3-aminocyclopentanecarbonyl)-1,4-diazepan-5-one?
The canonical SMILES for 1-(3-aminocyclopentanecarbonyl)-1,4-diazepan-5-one is NC1CCC(C(=O)N2CCNC(=O)CC2)C1.
What is the InChIKey of 1-(3-aminocyclopentanecarbonyl)-1,4-diazepan-5-one?
The InChIKey is XDTKPSHCUKUWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c12-9-2-1-8(7-9)11(16)14-5-3-10(15)13-4-6-14/h8-9H,1-7,12H2,(H,13,15).
What are the key properties of 1-(3-aminocyclopentanecarbonyl)-1,4-diazepan-5-one?
1-(3-aminocyclopentanecarbonyl)-1,4-diazepan-5-one has a molecular weight of 225.29 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclopentanecarbonyl)-1,4-diazepan-5-one is sourced from PubChem (CID 66008813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).