[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(1-methylpyrrol-2-yl)methanone

C19H31N3O — CID 3235167

IUPAC[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCC(C)CN1CCCC2(CCN(C(=O)c3cccn3C)CC2)C1
InChIInChI=1S/C19H31N3O/c1-16(2)14-21-11-5-7-19(15-21)8-12-22(13-9-19)18(23)17-6-4-10-20(17)3/h4,6,10,16H,5,7-9,11-15H2,1-3H3
InChIKeyZIAQAHHBOSOTPA-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.00
Rot. Bonds3

About [2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(1-methylpyrrol-2-yl)methanone

[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 3235167) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is [2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID3235167
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCC(C)CN1CCCC2(CCN(C(=O)c3cccn3C)CC2)C1
InChIInChI=1S/C19H31N3O/c1-16(2)14-21-11-5-7-19(15-21)8-12-22(13-9-19)18(23)17-6-4-10-20(17)3/h4,6,10,16H,5,7-9,11-15H2,1-3H3
InChIKeyZIAQAHHBOSOTPA-UHFFFAOYSA-N
XLogP3.00
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(1-methylpyrrol-2-yl)methanone 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 [2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(1-methylpyrrol-2-yl)methanone (CID 3235167) is [2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(1-methylpyrrol-2-yl)methanone is CC(C)CN1CCCC2(CCN(C(=O)c3cccn3C)CC2)C1.
What is the InChIKey of [2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is ZIAQAHHBOSOTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-16(2)14-21-11-5-7-19(15-21)8-12-22(13-9-19)18(23)17-6-4-10-20(17)3/h4,6,10,16H,5,7-9,11-15H2,1-3H3.
What are the key properties of [2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(1-methylpyrrol-2-yl)methanone?
[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 317.48 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 3235167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).