8-(cyclopropylmethyl)-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane

C17H31N3O — CID 118747004

IUPAC8-(cyclopropylmethyl)-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESCN1CCN(C2COC3(CCN(CC4CC4)CC3)C2)CC1
InChIInChI=1S/C17H31N3O/c1-18-8-10-20(11-9-18)16-12-17(21-14-16)4-6-19(7-5-17)13-15-2-3-15/h15-16H,2-14H2,1H3
InChIKeyQJJXYAWKDDCFQC-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.27
Rot. Bonds3

About 8-(cyclopropylmethyl)-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane

8-(cyclopropylmethyl)-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 118747004) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(cyclopropylmethyl)-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID118747004
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name8-(cyclopropylmethyl)-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESCN1CCN(C2COC3(CCN(CC4CC4)CC3)C2)CC1
InChIInChI=1S/C17H31N3O/c1-18-8-10-20(11-9-18)16-12-17(21-14-16)4-6-19(7-5-17)13-15-2-3-15/h15-16H,2-14H2,1H3
InChIKeyQJJXYAWKDDCFQC-UHFFFAOYSA-N
XLogP1.27
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(cyclopropylmethyl)-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane 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 8-(cyclopropylmethyl)-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(cyclopropylmethyl)-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane (CID 118747004) is 8-(cyclopropylmethyl)-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(cyclopropylmethyl)-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(cyclopropylmethyl)-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane is CN1CCN(C2COC3(CCN(CC4CC4)CC3)C2)CC1.
What is the InChIKey of 8-(cyclopropylmethyl)-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is QJJXYAWKDDCFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-18-8-10-20(11-9-18)16-12-17(21-14-16)4-6-19(7-5-17)13-15-2-3-15/h15-16H,2-14H2,1H3.
What are the key properties of 8-(cyclopropylmethyl)-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane?
8-(cyclopropylmethyl)-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 293.45 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylmethyl)-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118747004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).