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

C18H34N4O3 — CID 70782635

IUPAC3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN(C)CCN1CC2(CCN(C3CCCNC3)CC2)OC1=O
InChIInChI=1S/C18H34N4O3/c1-20(12-13-24-2)10-11-22-15-18(25-17(22)23)5-8-21(9-6-18)16-4-3-7-19-14-16/h16,19H,3-15H2,1-2H3
InChIKeyQPRQBBJZQYSPEK-UHFFFAOYSA-N
MW354.50 g/mol
LogP0.60
Rot. Bonds7

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

3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70782635) 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-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70782635
Molecular FormulaC18H34N4O3
Molecular Weight354.50 g/mol
Exact Mass354.26
IUPAC Name3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN(C)CCN1CC2(CCN(C3CCCNC3)CC2)OC1=O
InChIInChI=1S/C18H34N4O3/c1-20(12-13-24-2)10-11-22-15-18(25-17(22)23)5-8-21(9-6-18)16-4-3-7-19-14-16/h16,19H,3-15H2,1-2H3
InChIKeyQPRQBBJZQYSPEK-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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Related Compounds

8-Cyclohexyl-3-{2-[(2-methoxyethyl)(methyl)amino]ethyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70752778
3-{2-[(2-Methoxyethyl)(methyl)amino]ethyl}-8-piperidin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70780104
8-beta-Alanyl-3-[2-(4-isopropylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70714820
3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-(tetrahydro-2H-pyran-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70704320
3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-(N-methyl-L-alanyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70724574
3-[3-(4-Ethylpiperazin-1-yl)propyl]-8-glycyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70768088
8-(3-Amino-5-fluoropiperidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 134321749
8-(3-Amino-1-ethyl-5-fluoropiperidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 134339910
3-(3-Methylbutyl)-8-[(3-oxopiperazin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70733414
3-Isopropyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 20286479
Methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-(1-piperidin-4-ylpropyl)piperazin-1-yl]propanoate
CID 67652854
Methyl 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]acetate
CID 67654113

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70782635) is 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-piperidin-3-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-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is COCCN(C)CCN1CC2(CCN(C3CCCNC3)CC2)OC1=O.
What is the InChIKey of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is QPRQBBJZQYSPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O3/c1-20(12-13-24-2)10-11-22-15-18(25-17(22)23)5-8-21(9-6-18)16-4-3-7-19-14-16/h16,19H,3-15H2,1-2H3.
What are the key properties of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-piperidin-3-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-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70782635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).