azepan-1-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C13H25N3O2 — CID 79152900

IUPACazepan-1-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(N1CCCCCC1)N1CCN(CCO)CC1
InChIInChI=1S/C13H25N3O2/c17-12-11-14-7-9-16(10-8-14)13(18)15-5-3-1-2-4-6-15/h17H,1-12H2
InChIKeyQVITXJTVVAPGOV-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.59
Rot. Bonds2

About azepan-1-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

azepan-1-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 79152900) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is azepan-1-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID79152900
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Nameazepan-1-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(N1CCCCCC1)N1CCN(CCO)CC1
InChIInChI=1S/C13H25N3O2/c17-12-11-14-7-9-16(10-8-14)13(18)15-5-3-1-2-4-6-15/h17H,1-12H2
InChIKeyQVITXJTVVAPGOV-UHFFFAOYSA-N
XLogP0.59
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze azepan-1-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of azepan-1-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 79152900) is azepan-1-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for azepan-1-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for azepan-1-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is O=C(N1CCCCCC1)N1CCN(CCO)CC1.
What is the InChIKey of azepan-1-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is QVITXJTVVAPGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c17-12-11-14-7-9-16(10-8-14)13(18)15-5-3-1-2-4-6-15/h17H,1-12H2.
What are the key properties of azepan-1-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
azepan-1-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 255.36 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 79152900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).