2-cyclopentyl-9-[6-(1-hydroxyethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one

C21H31N3O2 — CID 72890901

IUPAC2-cyclopentyl-9-[6-(1-hydroxyethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCC(O)c1cccc(N2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)n1
InChIInChI=1S/C21H31N3O2/c1-16(25)18-7-4-8-19(22-18)23-13-11-21(12-14-23)10-9-20(26)24(15-21)17-5-2-3-6-17/h4,7-8,16-17,25H,2-3,5-6,9-15H2,1H3
InChIKeyLCYGCRYTEFBNTI-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.29
Rot. Bonds3

About 2-cyclopentyl-9-[6-(1-hydroxyethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one

2-cyclopentyl-9-[6-(1-hydroxyethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72890901) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-cyclopentyl-9-[6-(1-hydroxyethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopentyl-9-[6-(1-hydroxyethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72890901
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name2-cyclopentyl-9-[6-(1-hydroxyethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCC(O)c1cccc(N2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)n1
InChIInChI=1S/C21H31N3O2/c1-16(25)18-7-4-8-19(22-18)23-13-11-21(12-14-23)10-9-20(26)24(15-21)17-5-2-3-6-17/h4,7-8,16-17,25H,2-3,5-6,9-15H2,1H3
InChIKeyLCYGCRYTEFBNTI-UHFFFAOYSA-N
XLogP3.29
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-9-[6-(1-hydroxyethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopentyl-9-[6-(1-hydroxyethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 72890901) is 2-cyclopentyl-9-[6-(1-hydroxyethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopentyl-9-[6-(1-hydroxyethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopentyl-9-[6-(1-hydroxyethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one is CC(O)c1cccc(N2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)n1.
What is the InChIKey of 2-cyclopentyl-9-[6-(1-hydroxyethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is LCYGCRYTEFBNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-16(25)18-7-4-8-19(22-18)23-13-11-21(12-14-23)10-9-20(26)24(15-21)17-5-2-3-6-17/h4,7-8,16-17,25H,2-3,5-6,9-15H2,1H3.
What are the key properties of 2-cyclopentyl-9-[6-(1-hydroxyethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-cyclopentyl-9-[6-(1-hydroxyethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 357.50 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-9-[6-(1-hydroxyethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72890901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).