3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-piperidin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C18H34N4O3 — CID 70780104

IUPAC3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-piperidin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN(C)CCN1CC2(CCN(C3CCNCC3)CC2)OC1=O
InChIInChI=1S/C18H34N4O3/c1-20(13-14-24-2)11-12-22-15-18(25-17(22)23)5-9-21(10-6-18)16-3-7-19-8-4-16/h16,19H,3-15H2,1-2H3
InChIKeyLUZCOPDQRWKGBA-UHFFFAOYSA-N
MW354.50 g/mol
LogP0.60
Rot. Bonds7

About 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-piperidin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-piperidin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70780104) has the molecular formula C18H34N4O3 and a molecular weight of 354.50 g/mol. Its IUPAC name is 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-piperidin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-piperidin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70780104
Molecular FormulaC18H34N4O3
Molecular Weight354.50 g/mol
Exact Mass354.26
IUPAC Name3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-piperidin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN(C)CCN1CC2(CCN(C3CCNCC3)CC2)OC1=O
InChIInChI=1S/C18H34N4O3/c1-20(13-14-24-2)11-12-22-15-18(25-17(22)23)5-9-21(10-6-18)16-3-7-19-8-4-16/h16,19H,3-15H2,1-2H3
InChIKeyLUZCOPDQRWKGBA-UHFFFAOYSA-N
XLogP0.60
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-piperidin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-piperidin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70780104) is 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-piperidin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-piperidin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-piperidin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is COCCN(C)CCN1CC2(CCN(C3CCNCC3)CC2)OC1=O.
What is the InChIKey of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-piperidin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is LUZCOPDQRWKGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O3/c1-20(13-14-24-2)11-12-22-15-18(25-17(22)23)5-9-21(10-6-18)16-3-7-19-8-4-16/h16,19H,3-15H2,1-2H3.
What are the key properties of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-piperidin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-piperidin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 354.50 g/mol, XLogP of 0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-piperidin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70780104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).