1-(2-amino-5-methylcyclohexanecarbonyl)-1,4-diazepan-5-one

C13H23N3O2 — CID 65456250

IUPAC1-(2-amino-5-methylcyclohexanecarbonyl)-1,4-diazepan-5-one
SMILESCC1CCC(N)C(C(=O)N2CCNC(=O)CC2)C1
InChIInChI=1S/C13H23N3O2/c1-9-2-3-11(14)10(8-9)13(18)16-6-4-12(17)15-5-7-16/h9-11H,2-8,14H2,1H3,(H,15,17)
InChIKeyJHLXEXAOLAWKCY-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.10
Rot. Bonds1

About 1-(2-amino-5-methylcyclohexanecarbonyl)-1,4-diazepan-5-one

1-(2-amino-5-methylcyclohexanecarbonyl)-1,4-diazepan-5-one (PubChem CID 65456250) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(2-amino-5-methylcyclohexanecarbonyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(2-amino-5-methylcyclohexanecarbonyl)-1,4-diazepan-5-one
PubChem CID65456250
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-(2-amino-5-methylcyclohexanecarbonyl)-1,4-diazepan-5-one
SMILESCC1CCC(N)C(C(=O)N2CCNC(=O)CC2)C1
InChIInChI=1S/C13H23N3O2/c1-9-2-3-11(14)10(8-9)13(18)16-6-4-12(17)15-5-7-16/h9-11H,2-8,14H2,1H3,(H,15,17)
InChIKeyJHLXEXAOLAWKCY-UHFFFAOYSA-N
XLogP0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminocyclopentanecarbonyl)-1,4-diazepan-5-one
CID 66008813
1-(2-methylpiperidine-4-carbonyl)-1,4-diazepan-5-one
CID 106740000
1-(3-methyloxolane-2-carbonyl)-1,4-diazepan-5-one
CID 81448608
1-(adamantane-2-carbonyl)-1,4-diazepan-5-one
CID 78980747
(2-amino-5-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112629306
(2-amino-5-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79170649
1-(1-methylsulfonylpiperidine-4-carbonyl)-1,4-diazepan-5-one
CID 62045564
1-[(1R)-2,2-dichlorocyclopropanecarbonyl]-1,4-diazepan-5-one
CID 2129461
1-(oxolane-2-carbonyl)-1,4-diazepan-5-one
CID 60707955
1-[(2S)-2-aminopropanoyl]-1,4-diazepan-5-one
CID 78919914
4-(4-methylpiperidine-2-carbonyl)piperazin-2-one
CID 114422685
1-[3-(4-aminocyclohexyl)propanoyl]-1,4-diazepan-5-one
CID 63002982

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methylcyclohexanecarbonyl)-1,4-diazepan-5-one?
The IUPAC name of 1-(2-amino-5-methylcyclohexanecarbonyl)-1,4-diazepan-5-one (CID 65456250) is 1-(2-amino-5-methylcyclohexanecarbonyl)-1,4-diazepan-5-one.
What is the SMILES notation for 1-(2-amino-5-methylcyclohexanecarbonyl)-1,4-diazepan-5-one?
The canonical SMILES for 1-(2-amino-5-methylcyclohexanecarbonyl)-1,4-diazepan-5-one is CC1CCC(N)C(C(=O)N2CCNC(=O)CC2)C1.
What is the InChIKey of 1-(2-amino-5-methylcyclohexanecarbonyl)-1,4-diazepan-5-one?
The InChIKey is JHLXEXAOLAWKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9-2-3-11(14)10(8-9)13(18)16-6-4-12(17)15-5-7-16/h9-11H,2-8,14H2,1H3,(H,15,17).
What are the key properties of 1-(2-amino-5-methylcyclohexanecarbonyl)-1,4-diazepan-5-one?
1-(2-amino-5-methylcyclohexanecarbonyl)-1,4-diazepan-5-one has a molecular weight of 253.35 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methylcyclohexanecarbonyl)-1,4-diazepan-5-one is sourced from PubChem (CID 65456250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).