9-(cyclopropylmethyl)-2-(1-methylpiperidin-4-yl)-2,9-diazaspiro[4.5]decane

C18H33N3 — CID 45197007

IUPAC9-(cyclopropylmethyl)-2-(1-methylpiperidin-4-yl)-2,9-diazaspiro[4.5]decane
SMILESCN1CCC(N2CCC3(CCCN(CC4CC4)C3)C2)CC1
InChIInChI=1S/C18H33N3/c1-19-10-5-17(6-11-19)21-12-8-18(15-21)7-2-9-20(14-18)13-16-3-4-16/h16-17H,2-15H2,1H3
InChIKeyLYIOJKAWXXCHMW-UHFFFAOYSA-N
MW291.48 g/mol
LogP2.28
Rot. Bonds3

About 9-(cyclopropylmethyl)-2-(1-methylpiperidin-4-yl)-2,9-diazaspiro[4.5]decane

9-(cyclopropylmethyl)-2-(1-methylpiperidin-4-yl)-2,9-diazaspiro[4.5]decane (PubChem CID 45197007) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-2-(1-methylpiperidin-4-yl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-2-(1-methylpiperidin-4-yl)-2,9-diazaspiro[4.5]decane
PubChem CID45197007
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name9-(cyclopropylmethyl)-2-(1-methylpiperidin-4-yl)-2,9-diazaspiro[4.5]decane
SMILESCN1CCC(N2CCC3(CCCN(CC4CC4)C3)C2)CC1
InChIInChI=1S/C18H33N3/c1-19-10-5-17(6-11-19)21-12-8-18(15-21)7-2-9-20(14-18)13-16-3-4-16/h16-17H,2-15H2,1H3
InChIKeyLYIOJKAWXXCHMW-UHFFFAOYSA-N
XLogP2.28
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(cyclopropylmethyl)-2-(1-methylpiperidin-4-yl)-2,9-diazaspiro[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 9-(cyclopropylmethyl)-2-(1-methylpiperidin-4-yl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(cyclopropylmethyl)-2-(1-methylpiperidin-4-yl)-2,9-diazaspiro[4.5]decane (CID 45197007) is 9-(cyclopropylmethyl)-2-(1-methylpiperidin-4-yl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(cyclopropylmethyl)-2-(1-methylpiperidin-4-yl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(cyclopropylmethyl)-2-(1-methylpiperidin-4-yl)-2,9-diazaspiro[4.5]decane is CN1CCC(N2CCC3(CCCN(CC4CC4)C3)C2)CC1.
What is the InChIKey of 9-(cyclopropylmethyl)-2-(1-methylpiperidin-4-yl)-2,9-diazaspiro[4.5]decane?
The InChIKey is LYIOJKAWXXCHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-19-10-5-17(6-11-19)21-12-8-18(15-21)7-2-9-20(14-18)13-16-3-4-16/h16-17H,2-15H2,1H3.
What are the key properties of 9-(cyclopropylmethyl)-2-(1-methylpiperidin-4-yl)-2,9-diazaspiro[4.5]decane?
9-(cyclopropylmethyl)-2-(1-methylpiperidin-4-yl)-2,9-diazaspiro[4.5]decane has a molecular weight of 291.48 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropylmethyl)-2-(1-methylpiperidin-4-yl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 45197007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).