9-(2-cyclopropylacetyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C18H23N3O3 — CID 97471474

IUPAC9-(2-cyclopropylacetyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C(CC1CC1)N1CCC2(CC1)CN(c1cccnc1)C(=O)CO2
InChIInChI=1S/C18H23N3O3/c22-16(10-14-3-4-14)20-8-5-18(6-9-20)13-21(17(23)12-24-18)15-2-1-7-19-11-15/h1-2,7,11,14H,3-6,8-10,12-13H2
InChIKeyIEOOJELNUCBMIT-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.61
Rot. Bonds3

About 9-(2-cyclopropylacetyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-(2-cyclopropylacetyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97471474) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 9-(2-cyclopropylacetyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(2-cyclopropylacetyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97471474
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name9-(2-cyclopropylacetyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C(CC1CC1)N1CCC2(CC1)CN(c1cccnc1)C(=O)CO2
InChIInChI=1S/C18H23N3O3/c22-16(10-14-3-4-14)20-8-5-18(6-9-20)13-21(17(23)12-24-18)15-2-1-7-19-11-15/h1-2,7,11,14H,3-6,8-10,12-13H2
InChIKeyIEOOJELNUCBMIT-UHFFFAOYSA-N
XLogP1.61
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(2-cyclopropylacetyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one 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-(2-cyclopropylacetyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(2-cyclopropylacetyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97471474) is 9-(2-cyclopropylacetyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(2-cyclopropylacetyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(2-cyclopropylacetyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C(CC1CC1)N1CCC2(CC1)CN(c1cccnc1)C(=O)CO2.
What is the InChIKey of 9-(2-cyclopropylacetyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is IEOOJELNUCBMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-16(10-14-3-4-14)20-8-5-18(6-9-20)13-21(17(23)12-24-18)15-2-1-7-19-11-15/h1-2,7,11,14H,3-6,8-10,12-13H2.
What are the key properties of 9-(2-cyclopropylacetyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(2-cyclopropylacetyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 329.40 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-cyclopropylacetyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97471474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).