4-(1-aminocyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one

C13H23N3O2 — CID 102888896

IUPAC4-(1-aminocyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(C(=O)C2(N)CCCCC2)CC1=O
InChIInChI=1S/C13H23N3O2/c1-15-8-5-9-16(10-11(15)17)12(18)13(14)6-3-2-4-7-13/h2-10,14H2,1H3
InChIKeyYJTFGTUGYUPZQG-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.34
Rot. Bonds1

About 4-(1-aminocyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one

4-(1-aminocyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one (PubChem CID 102888896) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-(1-aminocyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(1-aminocyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one
PubChem CID102888896
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-(1-aminocyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(C(=O)C2(N)CCCCC2)CC1=O
InChIInChI=1S/C13H23N3O2/c1-15-8-5-9-16(10-11(15)17)12(18)13(14)6-3-2-4-7-13/h2-10,14H2,1H3
InChIKeyYJTFGTUGYUPZQG-UHFFFAOYSA-N
XLogP0.34
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-(1-aminocyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one (CID 102888896) is 4-(1-aminocyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-(1-aminocyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-(1-aminocyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one is CN1CCCN(C(=O)C2(N)CCCCC2)CC1=O.
What is the InChIKey of 4-(1-aminocyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one?
The InChIKey is YJTFGTUGYUPZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-15-8-5-9-16(10-11(15)17)12(18)13(14)6-3-2-4-7-13/h2-10,14H2,1H3.
What are the key properties of 4-(1-aminocyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one?
4-(1-aminocyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one has a molecular weight of 253.35 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102888896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).