[2-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone

C19H27N3O2 — CID 131639584

IUPAC[2-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCCC2(CCN(CC3CCOC3)C2)C1
InChIInChI=1S/C19H27N3O2/c23-18(17-3-1-7-20-11-17)22-8-2-5-19(15-22)6-9-21(14-19)12-16-4-10-24-13-16/h1,3,7,11,16H,2,4-6,8-10,12-15H2
InChIKeyMZOGYFJYFPKPQI-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.05
Rot. Bonds3

About [2-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone

[2-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone (PubChem CID 131639584) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is [2-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
PubChem CID131639584
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name[2-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCCC2(CCN(CC3CCOC3)C2)C1
InChIInChI=1S/C19H27N3O2/c23-18(17-3-1-7-20-11-17)22-8-2-5-19(15-22)6-9-21(14-19)12-16-4-10-24-13-16/h1,3,7,11,16H,2,4-6,8-10,12-15H2
InChIKeyMZOGYFJYFPKPQI-UHFFFAOYSA-N
XLogP2.05
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone (CID 131639584) is [2-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCCC2(CCN(CC3CCOC3)C2)C1.
What is the InChIKey of [2-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone?
The InChIKey is MZOGYFJYFPKPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-18(17-3-1-7-20-11-17)22-8-2-5-19(15-22)6-9-21(14-19)12-16-4-10-24-13-16/h1,3,7,11,16H,2,4-6,8-10,12-15H2.
What are the key properties of [2-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone?
[2-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone has a molecular weight of 329.44 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 131639584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).