3-methyl-8-[(3-pyrazol-1-ylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C18H22N4O2 — CID 70729618

IUPAC3-methyl-8-[(3-pyrazol-1-ylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(Cc3cccc(-n4cccn4)c3)CC2)OC1=O
InChIInChI=1S/C18H22N4O2/c1-20-14-18(24-17(20)23)6-10-21(11-7-18)13-15-4-2-5-16(12-15)22-9-3-8-19-22/h2-5,8-9,12H,6-7,10-11,13-14H2,1H3
InChIKeyWOEAGDJWNZRROU-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.29
Rot. Bonds3

About 3-methyl-8-[(3-pyrazol-1-ylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-methyl-8-[(3-pyrazol-1-ylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70729618) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-methyl-8-[(3-pyrazol-1-ylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-methyl-8-[(3-pyrazol-1-ylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70729618
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-methyl-8-[(3-pyrazol-1-ylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(Cc3cccc(-n4cccn4)c3)CC2)OC1=O
InChIInChI=1S/C18H22N4O2/c1-20-14-18(24-17(20)23)6-10-21(11-7-18)13-15-4-2-5-16(12-15)22-9-3-8-19-22/h2-5,8-9,12H,6-7,10-11,13-14H2,1H3
InChIKeyWOEAGDJWNZRROU-UHFFFAOYSA-N
XLogP2.29
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,10-dimethyl-4-[(3-pyrazol-1-ylphenyl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72845317
8-(dibenzofuran-2-ylmethyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70721237
(5S)-3-methyl-9-[3-(pyrazol-1-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95723493
(5R)-7-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95897451
1-[(3-fluorophenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine
CID 56897722
2-[(3-pyrazol-1-ylphenyl)methyl]-9-oxa-2-azaspiro[5.5]undecane
CID 74242185
3-[(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-N-(thiadiazol-5-yl)benzamide
CID 56711030
(5S)-3-methyl-7-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95869955
ethyl 4-benzyl-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxylate
CID 42593773
(5R)-9-(1-benzofuran-5-ylmethyl)-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95719928
1-methyl-4-[[1-[(3-pyrazol-1-ylphenyl)methyl]triazol-4-yl]methyl]piperazine
CID 138056348
4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyridine
CID 56913035

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[(3-pyrazol-1-ylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-methyl-8-[(3-pyrazol-1-ylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70729618) is 3-methyl-8-[(3-pyrazol-1-ylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-methyl-8-[(3-pyrazol-1-ylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-methyl-8-[(3-pyrazol-1-ylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN1CC2(CCN(Cc3cccc(-n4cccn4)c3)CC2)OC1=O.
What is the InChIKey of 3-methyl-8-[(3-pyrazol-1-ylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is WOEAGDJWNZRROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-20-14-18(24-17(20)23)6-10-21(11-7-18)13-15-4-2-5-16(12-15)22-9-3-8-19-22/h2-5,8-9,12H,6-7,10-11,13-14H2,1H3.
What are the key properties of 3-methyl-8-[(3-pyrazol-1-ylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-methyl-8-[(3-pyrazol-1-ylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 326.40 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[(3-pyrazol-1-ylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70729618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).