N-(4-acetylpiperazin-1-yl)cyclohexanecarboxamide

C13H23N3O2 — CID 19791271

IUPACN-(4-acetylpiperazin-1-yl)cyclohexanecarboxamide
SMILESCC(=O)N1CCN(NC(=O)C2CCCCC2)CC1
InChIInChI=1S/C13H23N3O2/c1-11(17)15-7-9-16(10-8-15)14-13(18)12-5-3-2-4-6-12/h12H,2-10H2,1H3,(H,14,18)
InChIKeyAXPOGZZIXULUSY-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.76
Rot. Bonds2

About N-(4-acetylpiperazin-1-yl)cyclohexanecarboxamide

N-(4-acetylpiperazin-1-yl)cyclohexanecarboxamide (PubChem CID 19791271) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(4-acetylpiperazin-1-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-acetylpiperazin-1-yl)cyclohexanecarboxamide
PubChem CID19791271
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-(4-acetylpiperazin-1-yl)cyclohexanecarboxamide
SMILESCC(=O)N1CCN(NC(=O)C2CCCCC2)CC1
InChIInChI=1S/C13H23N3O2/c1-11(17)15-7-9-16(10-8-15)14-13(18)12-5-3-2-4-6-12/h12H,2-10H2,1H3,(H,14,18)
InChIKeyAXPOGZZIXULUSY-UHFFFAOYSA-N
XLogP0.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-acetylpiperazin-1-yl)cyclohexanecarboxamide 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 N-(4-acetylpiperazin-1-yl)cyclohexanecarboxamide?
The IUPAC name of N-(4-acetylpiperazin-1-yl)cyclohexanecarboxamide (CID 19791271) is N-(4-acetylpiperazin-1-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4-acetylpiperazin-1-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(4-acetylpiperazin-1-yl)cyclohexanecarboxamide is CC(=O)N1CCN(NC(=O)C2CCCCC2)CC1.
What is the InChIKey of N-(4-acetylpiperazin-1-yl)cyclohexanecarboxamide?
The InChIKey is AXPOGZZIXULUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-11(17)15-7-9-16(10-8-15)14-13(18)12-5-3-2-4-6-12/h12H,2-10H2,1H3,(H,14,18).
What are the key properties of N-(4-acetylpiperazin-1-yl)cyclohexanecarboxamide?
N-(4-acetylpiperazin-1-yl)cyclohexanecarboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylpiperazin-1-yl)cyclohexanecarboxamide is sourced from PubChem (CID 19791271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).