9-(cyclopentylmethyl)-3-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene

C18H25N3O — CID 134789473

IUPAC9-(cyclopentylmethyl)-3-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
SMILESc1cncc(C2=NOC3(CCCN(CC4CCCC4)C3)C2)c1
InChIInChI=1S/C18H25N3O/c1-2-6-15(5-1)13-21-10-4-8-18(14-21)11-17(20-22-18)16-7-3-9-19-12-16/h3,7,9,12,15H,1-2,4-6,8,10-11,13-14H2
InChIKeyNIRCVOUVEKOQSB-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.23
Rot. Bonds3

About 9-(cyclopentylmethyl)-3-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene

9-(cyclopentylmethyl)-3-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene (PubChem CID 134789473) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 9-(cyclopentylmethyl)-3-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name9-(cyclopentylmethyl)-3-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
PubChem CID134789473
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name9-(cyclopentylmethyl)-3-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
SMILESc1cncc(C2=NOC3(CCCN(CC4CCCC4)C3)C2)c1
InChIInChI=1S/C18H25N3O/c1-2-6-15(5-1)13-21-10-4-8-18(14-21)11-17(20-22-18)16-7-3-9-19-12-16/h3,7,9,12,15H,1-2,4-6,8,10-11,13-14H2
InChIKeyNIRCVOUVEKOQSB-UHFFFAOYSA-N
XLogP3.23
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclopentylmethyl)-3-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 9-(cyclopentylmethyl)-3-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene (CID 134789473) is 9-(cyclopentylmethyl)-3-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 9-(cyclopentylmethyl)-3-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 9-(cyclopentylmethyl)-3-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene is c1cncc(C2=NOC3(CCCN(CC4CCCC4)C3)C2)c1.
What is the InChIKey of 9-(cyclopentylmethyl)-3-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
The InChIKey is NIRCVOUVEKOQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-2-6-15(5-1)13-21-10-4-8-18(14-21)11-17(20-22-18)16-7-3-9-19-12-16/h3,7,9,12,15H,1-2,4-6,8,10-11,13-14H2.
What are the key properties of 9-(cyclopentylmethyl)-3-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
9-(cyclopentylmethyl)-3-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene has a molecular weight of 299.42 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopentylmethyl)-3-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 134789473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).