[2-(oxan-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone

C19H32N2O3 — CID 118743019

IUPAC[2-(oxan-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CN(CC2CCOCC2)CC12CCOCC2)N1CCCC1
InChIInChI=1S/C19H32N2O3/c22-18(21-7-1-2-8-21)17-14-20(13-16-3-9-23-10-4-16)15-19(17)5-11-24-12-6-19/h16-17H,1-15H2
InChIKeyTULKHQCHNHCOPV-UHFFFAOYSA-N
MW336.48 g/mol
LogP1.76
Rot. Bonds3

About [2-(oxan-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone

[2-(oxan-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 118743019) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is [2-(oxan-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(oxan-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID118743019
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name[2-(oxan-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CN(CC2CCOCC2)CC12CCOCC2)N1CCCC1
InChIInChI=1S/C19H32N2O3/c22-18(21-7-1-2-8-21)17-14-20(13-16-3-9-23-10-4-16)15-19(17)5-11-24-12-6-19/h16-17H,1-15H2
InChIKeyTULKHQCHNHCOPV-UHFFFAOYSA-N
XLogP1.76
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(oxan-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(oxan-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone (CID 118743019) is [2-(oxan-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(oxan-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(oxan-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone is O=C(C1CN(CC2CCOCC2)CC12CCOCC2)N1CCCC1.
What is the InChIKey of [2-(oxan-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is TULKHQCHNHCOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c22-18(21-7-1-2-8-21)17-14-20(13-16-3-9-23-10-4-16)15-19(17)5-11-24-12-6-19/h16-17H,1-15H2.
What are the key properties of [2-(oxan-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone?
[2-(oxan-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 336.48 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 118743019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).