1-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)-1,4-diazepan-2-one

C14H26N4O2 — CID 102888939

IUPAC1-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)-1,4-diazepan-2-one
SMILESCN1CCCN(C(=O)C(C)(C)N2CCNCC2)CC1=O
InChIInChI=1S/C14H26N4O2/c1-14(2,18-9-5-15-6-10-18)13(20)17-8-4-7-16(3)12(19)11-17/h15H,4-11H2,1-3H3
InChIKeyAORNLKYHDJHJAU-UHFFFAOYSA-N
MW282.39 g/mol
LogP-0.64
Rot. Bonds2

About 1-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)-1,4-diazepan-2-one

1-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)-1,4-diazepan-2-one (PubChem CID 102888939) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name1-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)-1,4-diazepan-2-one
PubChem CID102888939
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name1-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)-1,4-diazepan-2-one
SMILESCN1CCCN(C(=O)C(C)(C)N2CCNCC2)CC1=O
InChIInChI=1S/C14H26N4O2/c1-14(2,18-9-5-15-6-10-18)13(20)17-8-4-7-16(3)12(19)11-17/h15H,4-11H2,1-3H3
InChIKeyAORNLKYHDJHJAU-UHFFFAOYSA-N
XLogP-0.64
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)-1,4-diazepan-2-one?
The IUPAC name of 1-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)-1,4-diazepan-2-one (CID 102888939) is 1-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)-1,4-diazepan-2-one.
What is the SMILES notation for 1-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)-1,4-diazepan-2-one?
The canonical SMILES for 1-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)-1,4-diazepan-2-one is CN1CCCN(C(=O)C(C)(C)N2CCNCC2)CC1=O.
What is the InChIKey of 1-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)-1,4-diazepan-2-one?
The InChIKey is AORNLKYHDJHJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-14(2,18-9-5-15-6-10-18)13(20)17-8-4-7-16(3)12(19)11-17/h15H,4-11H2,1-3H3.
What are the key properties of 1-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)-1,4-diazepan-2-one?
1-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)-1,4-diazepan-2-one has a molecular weight of 282.39 g/mol, XLogP of -0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)-1,4-diazepan-2-one is sourced from PubChem (CID 102888939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).