3-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one

C20H26N2O2 — CID 24983793

IUPAC3-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCCCC2)CN1Cc1ccc(C2=CCNCC2)cc1
InChIInChI=1S/C20H26N2O2/c23-19-22(15-20(24-19)10-2-1-3-11-20)14-16-4-6-17(7-5-16)18-8-12-21-13-9-18/h4-8,21H,1-3,9-15H2
InChIKeyNNNGLNADAPCQRW-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.72
Rot. Bonds3

About 3-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one

3-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 24983793) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID24983793
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCCCC2)CN1Cc1ccc(C2=CCNCC2)cc1
InChIInChI=1S/C20H26N2O2/c23-19-22(15-20(24-19)10-2-1-3-11-20)14-16-4-6-17(7-5-16)18-8-12-21-13-9-18/h4-8,21H,1-3,9-15H2
InChIKeyNNNGLNADAPCQRW-UHFFFAOYSA-N
XLogP3.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chlorophenyl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 115067366
3-benzyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 77058995
3-[[4-[2-(methoxymethyl)phenyl]phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 24983792
3-[[4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 24985420
3-[(4-methoxyphenyl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 115067319
3-[3-[4-(morpholin-4-ylmethyl)phenyl]prop-2-ynyl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 24984414
8-(4-methylphenyl)sulfonyl-3-[[4-(trifluoromethylsulfanyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66901860
3-[(3-benzylimidazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 72923701
7-[[5-[3-(difluoromethyl)-4-fluorophenyl]-3-pyridinyl]methyl]-5-oxa-7-azaspiro[3.4]octan-6-one
CID 155385483
2-[[4-[4-(hydroxymethyl)phenyl]phenyl]methyl]-2-azaspiro[4.5]decan-3-one
CID 70301564
[(5S,7S)-3-[(4-methoxyphenyl)methyl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl]methyl methanesulfonate
CID 89389464
3-[(3,4-difluorophenyl)methyl]-8-(4-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66901774

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one (CID 24983793) is 3-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one is O=C1OC2(CCCCC2)CN1Cc1ccc(C2=CCNCC2)cc1.
What is the InChIKey of 3-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is NNNGLNADAPCQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-19-22(15-20(24-19)10-2-1-3-11-20)14-16-4-6-17(7-5-16)18-8-12-21-13-9-18/h4-8,21H,1-3,9-15H2.
What are the key properties of 3-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one?
3-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 326.44 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 24983793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).