cyclopent-3-en-1-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone

C18H24N4O2 — CID 97451000

IUPACcyclopent-3-en-1-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(C1CC=CC1)N1CCC2(CC1)CN(c1ncccn1)CCO2
InChIInChI=1S/C18H24N4O2/c23-16(15-4-1-2-5-15)21-10-6-18(7-11-21)14-22(12-13-24-18)17-19-8-3-9-20-17/h1-3,8-9,15H,4-7,10-14H2
InChIKeyIKINUHCVMOFPQQ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.64
Rot. Bonds2

About cyclopent-3-en-1-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone

cyclopent-3-en-1-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone (PubChem CID 97451000) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
PubChem CID97451000
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Namecyclopent-3-en-1-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(C1CC=CC1)N1CCC2(CC1)CN(c1ncccn1)CCO2
InChIInChI=1S/C18H24N4O2/c23-16(15-4-1-2-5-15)21-10-6-18(7-11-21)14-22(12-13-24-18)17-19-8-3-9-20-17/h1-3,8-9,15H,4-7,10-14H2
InChIKeyIKINUHCVMOFPQQ-UHFFFAOYSA-N
XLogP1.64
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze cyclopent-3-en-1-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-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

Related Compounds

cyclopent-3-en-1-yl-[4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450797
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 131687867
oxan-4-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97370007
[(3R)-oxolan-3-yl]-[4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450798
1-[4-(5-chloropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-pyrrolidin-1-ylethanone
CID 131951201
(6R)-4-(5-methylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396480
6-pyrimidin-2-yl-1-oxa-6-azaspiro[3.3]heptane
CID 130685819
cyclopentyl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134074141
oxolan-3-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 131641140
cyclopent-3-en-1-yl-[9-(1-ethylpyrazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 131895640
[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(furan-3-yl)methanone
CID 97451019
pyrazin-2-yl-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 131662756

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of cyclopent-3-en-1-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone (CID 97451000) is cyclopent-3-en-1-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for cyclopent-3-en-1-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone is O=C(C1CC=CC1)N1CCC2(CC1)CN(c1ncccn1)CCO2.
What is the InChIKey of cyclopent-3-en-1-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is IKINUHCVMOFPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-16(15-4-1-2-5-15)21-10-6-18(7-11-21)14-22(12-13-24-18)17-19-8-3-9-20-17/h1-3,8-9,15H,4-7,10-14H2.
What are the key properties of cyclopent-3-en-1-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
cyclopent-3-en-1-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 328.42 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 97451000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).