1-(2,2-dimethylpiperazin-1-yl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

C14H25N3O — CID 114239067

IUPAC1-(2,2-dimethylpiperazin-1-yl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCC1(C)CNCCN1C1CC(=O)N2CCCCC12
InChIInChI=1S/C14H25N3O/c1-14(2)10-15-6-8-17(14)12-9-13(18)16-7-4-3-5-11(12)16/h11-12,15H,3-10H2,1-2H3
InChIKeyVQTOKFQPGVBDEQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.82
Rot. Bonds1

About 1-(2,2-dimethylpiperazin-1-yl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

1-(2,2-dimethylpiperazin-1-yl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 114239067) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(2,2-dimethylpiperazin-1-yl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name1-(2,2-dimethylpiperazin-1-yl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID114239067
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-(2,2-dimethylpiperazin-1-yl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCC1(C)CNCCN1C1CC(=O)N2CCCCC12
InChIInChI=1S/C14H25N3O/c1-14(2)10-15-6-8-17(14)12-9-13(18)16-7-4-3-5-11(12)16/h11-12,15H,3-10H2,1-2H3
InChIKeyVQTOKFQPGVBDEQ-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,2-dimethylpiperazin-1-yl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-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 1-(2,2-dimethylpiperazin-1-yl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of 1-(2,2-dimethylpiperazin-1-yl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 114239067) is 1-(2,2-dimethylpiperazin-1-yl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for 1-(2,2-dimethylpiperazin-1-yl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for 1-(2,2-dimethylpiperazin-1-yl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is CC1(C)CNCCN1C1CC(=O)N2CCCCC12.
What is the InChIKey of 1-(2,2-dimethylpiperazin-1-yl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is VQTOKFQPGVBDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-14(2)10-15-6-8-17(14)12-9-13(18)16-7-4-3-5-11(12)16/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 1-(2,2-dimethylpiperazin-1-yl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
1-(2,2-dimethylpiperazin-1-yl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 251.37 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpiperazin-1-yl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 114239067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).