3-(4-methylpiperazin-1-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one

C14H25N3O — CID 146135840

IUPAC3-(4-methylpiperazin-1-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one
SMILESCN1CCN(C2CC3CCCCC3NC2=O)CC1
InChIInChI=1S/C14H25N3O/c1-16-6-8-17(9-7-16)13-10-11-4-2-3-5-12(11)15-14(13)18/h11-13H,2-10H2,1H3,(H,15,18)
InChIKeyNVFINRIEUVMKLT-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.68
Rot. Bonds1

About 3-(4-methylpiperazin-1-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one

3-(4-methylpiperazin-1-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one (PubChem CID 146135840) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one
PubChem CID146135840
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-(4-methylpiperazin-1-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one
SMILESCN1CCN(C2CC3CCCCC3NC2=O)CC1
InChIInChI=1S/C14H25N3O/c1-16-6-8-17(9-7-16)13-10-11-4-2-3-5-12(11)15-14(13)18/h11-13H,2-10H2,1H3,(H,15,18)
InChIKeyNVFINRIEUVMKLT-UHFFFAOYSA-N
XLogP0.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-methylpiperazin-1-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one 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 3-(4-methylpiperazin-1-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one (CID 146135840) is 3-(4-methylpiperazin-1-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one is CN1CCN(C2CC3CCCCC3NC2=O)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one?
The InChIKey is NVFINRIEUVMKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-16-6-8-17(9-7-16)13-10-11-4-2-3-5-12(11)15-14(13)18/h11-13H,2-10H2,1H3,(H,15,18).
What are the key properties of 3-(4-methylpiperazin-1-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one?
3-(4-methylpiperazin-1-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one has a molecular weight of 251.37 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one is sourced from PubChem (CID 146135840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).