azepan-1-yl-(2,2-dimethylpiperazin-1-yl)methanone

C13H25N3O — CID 79152217

IUPACazepan-1-yl-(2,2-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CNCCN1C(=O)N1CCCCCC1
InChIInChI=1S/C13H25N3O/c1-13(2)11-14-7-10-16(13)12(17)15-8-5-3-4-6-9-15/h14H,3-11H2,1-2H3
InChIKeyITEYJKFDOJVXRT-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.67
Rot. Bonds

About azepan-1-yl-(2,2-dimethylpiperazin-1-yl)methanone

azepan-1-yl-(2,2-dimethylpiperazin-1-yl)methanone (PubChem CID 79152217) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is azepan-1-yl-(2,2-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(2,2-dimethylpiperazin-1-yl)methanone
PubChem CID79152217
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Nameazepan-1-yl-(2,2-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CNCCN1C(=O)N1CCCCCC1
InChIInChI=1S/C13H25N3O/c1-13(2)11-14-7-10-16(13)12(17)15-8-5-3-4-6-9-15/h14H,3-11H2,1-2H3
InChIKeyITEYJKFDOJVXRT-UHFFFAOYSA-N
XLogP1.67
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(2,2-dimethylpiperazin-1-yl)methanone?
The IUPAC name of azepan-1-yl-(2,2-dimethylpiperazin-1-yl)methanone (CID 79152217) is azepan-1-yl-(2,2-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for azepan-1-yl-(2,2-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for azepan-1-yl-(2,2-dimethylpiperazin-1-yl)methanone is CC1(C)CNCCN1C(=O)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(2,2-dimethylpiperazin-1-yl)methanone?
The InChIKey is ITEYJKFDOJVXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-13(2)11-14-7-10-16(13)12(17)15-8-5-3-4-6-9-15/h14H,3-11H2,1-2H3.
What are the key properties of azepan-1-yl-(2,2-dimethylpiperazin-1-yl)methanone?
azepan-1-yl-(2,2-dimethylpiperazin-1-yl)methanone has a molecular weight of 239.36 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(2,2-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 79152217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).