8-azaspiro[4.5]decan-8-yl-(5-chloropyrimidin-4-yl)methanone

C14H18ClN3O — CID 71924226

IUPAC8-azaspiro[4.5]decan-8-yl-(5-chloropyrimidin-4-yl)methanone
SMILESO=C(c1ncncc1Cl)N1CCC2(CCCC2)CC1
InChIInChI=1S/C14H18ClN3O/c15-11-9-16-10-17-12(11)13(19)18-7-5-14(6-8-18)3-1-2-4-14/h9-10H,1-8H2
InChIKeyIQESCXILLFMSFP-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.93
Rot. Bonds1

About 8-azaspiro[4.5]decan-8-yl-(5-chloropyrimidin-4-yl)methanone

8-azaspiro[4.5]decan-8-yl-(5-chloropyrimidin-4-yl)methanone (PubChem CID 71924226) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 8-azaspiro[4.5]decan-8-yl-(5-chloropyrimidin-4-yl)methanone.

Molecular Properties

Compound Name8-azaspiro[4.5]decan-8-yl-(5-chloropyrimidin-4-yl)methanone
PubChem CID71924226
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name8-azaspiro[4.5]decan-8-yl-(5-chloropyrimidin-4-yl)methanone
SMILESO=C(c1ncncc1Cl)N1CCC2(CCCC2)CC1
InChIInChI=1S/C14H18ClN3O/c15-11-9-16-10-17-12(11)13(19)18-7-5-14(6-8-18)3-1-2-4-14/h9-10H,1-8H2
InChIKeyIQESCXILLFMSFP-UHFFFAOYSA-N
XLogP2.93
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-azaspiro[4.5]decan-8-yl-(5-chloropyrimidin-4-yl)methanone?
The IUPAC name of 8-azaspiro[4.5]decan-8-yl-(5-chloropyrimidin-4-yl)methanone (CID 71924226) is 8-azaspiro[4.5]decan-8-yl-(5-chloropyrimidin-4-yl)methanone.
What is the SMILES notation for 8-azaspiro[4.5]decan-8-yl-(5-chloropyrimidin-4-yl)methanone?
The canonical SMILES for 8-azaspiro[4.5]decan-8-yl-(5-chloropyrimidin-4-yl)methanone is O=C(c1ncncc1Cl)N1CCC2(CCCC2)CC1.
What is the InChIKey of 8-azaspiro[4.5]decan-8-yl-(5-chloropyrimidin-4-yl)methanone?
The InChIKey is IQESCXILLFMSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c15-11-9-16-10-17-12(11)13(19)18-7-5-14(6-8-18)3-1-2-4-14/h9-10H,1-8H2.
What are the key properties of 8-azaspiro[4.5]decan-8-yl-(5-chloropyrimidin-4-yl)methanone?
8-azaspiro[4.5]decan-8-yl-(5-chloropyrimidin-4-yl)methanone has a molecular weight of 279.77 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azaspiro[4.5]decan-8-yl-(5-chloropyrimidin-4-yl)methanone is sourced from PubChem (CID 71924226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).