3,9-dimethyl-4-[1-methyl-4-(2-piperidin-1-ylethyl)piperazin-2-yl]-3,9-diazaspiro[5.5]undecane

C23H45N5 — CID 134591073

IUPAC3,9-dimethyl-4-[1-methyl-4-(2-piperidin-1-ylethyl)piperazin-2-yl]-3,9-diazaspiro[5.5]undecane
SMILESCN1CCC2(CC1)CCN(C)C(C1CN(CCN3CCCCC3)CCN1C)C2
InChIInChI=1S/C23H45N5/c1-24-12-7-23(8-13-24)9-14-25(2)21(19-23)22-20-28(16-15-26(22)3)18-17-27-10-5-4-6-11-27/h21-22H,4-20H2,1-3H3
InChIKeyBPZDHEOHUXGPLR-UHFFFAOYSA-N
MW391.65 g/mol
LogP1.89
Rot. Bonds4

About 3,9-dimethyl-4-[1-methyl-4-(2-piperidin-1-ylethyl)piperazin-2-yl]-3,9-diazaspiro[5.5]undecane

3,9-dimethyl-4-[1-methyl-4-(2-piperidin-1-ylethyl)piperazin-2-yl]-3,9-diazaspiro[5.5]undecane (PubChem CID 134591073) has the molecular formula C23H45N5 and a molecular weight of 391.65 g/mol. Its IUPAC name is 3,9-dimethyl-4-[1-methyl-4-(2-piperidin-1-ylethyl)piperazin-2-yl]-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3,9-dimethyl-4-[1-methyl-4-(2-piperidin-1-ylethyl)piperazin-2-yl]-3,9-diazaspiro[5.5]undecane
PubChem CID134591073
Molecular FormulaC23H45N5
Molecular Weight391.65 g/mol
Exact Mass391.37
IUPAC Name3,9-dimethyl-4-[1-methyl-4-(2-piperidin-1-ylethyl)piperazin-2-yl]-3,9-diazaspiro[5.5]undecane
SMILESCN1CCC2(CC1)CCN(C)C(C1CN(CCN3CCCCC3)CCN1C)C2
InChIInChI=1S/C23H45N5/c1-24-12-7-23(8-13-24)9-14-25(2)21(19-23)22-20-28(16-15-26(22)3)18-17-27-10-5-4-6-11-27/h21-22H,4-20H2,1-3H3
InChIKeyBPZDHEOHUXGPLR-UHFFFAOYSA-N
XLogP1.89
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.65
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,9-dimethyl-4-[1-methyl-4-(2-piperidin-1-ylethyl)piperazin-2-yl]-3,9-diazaspiro[5.5]undecane 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 3,9-dimethyl-4-[1-methyl-4-(2-piperidin-1-ylethyl)piperazin-2-yl]-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3,9-dimethyl-4-[1-methyl-4-(2-piperidin-1-ylethyl)piperazin-2-yl]-3,9-diazaspiro[5.5]undecane (CID 134591073) is 3,9-dimethyl-4-[1-methyl-4-(2-piperidin-1-ylethyl)piperazin-2-yl]-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3,9-dimethyl-4-[1-methyl-4-(2-piperidin-1-ylethyl)piperazin-2-yl]-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3,9-dimethyl-4-[1-methyl-4-(2-piperidin-1-ylethyl)piperazin-2-yl]-3,9-diazaspiro[5.5]undecane is CN1CCC2(CC1)CCN(C)C(C1CN(CCN3CCCCC3)CCN1C)C2.
What is the InChIKey of 3,9-dimethyl-4-[1-methyl-4-(2-piperidin-1-ylethyl)piperazin-2-yl]-3,9-diazaspiro[5.5]undecane?
The InChIKey is BPZDHEOHUXGPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N5/c1-24-12-7-23(8-13-24)9-14-25(2)21(19-23)22-20-28(16-15-26(22)3)18-17-27-10-5-4-6-11-27/h21-22H,4-20H2,1-3H3.
What are the key properties of 3,9-dimethyl-4-[1-methyl-4-(2-piperidin-1-ylethyl)piperazin-2-yl]-3,9-diazaspiro[5.5]undecane?
3,9-dimethyl-4-[1-methyl-4-(2-piperidin-1-ylethyl)piperazin-2-yl]-3,9-diazaspiro[5.5]undecane has a molecular weight of 391.65 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-4-[1-methyl-4-(2-piperidin-1-ylethyl)piperazin-2-yl]-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 134591073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).