9-(3-methoxypropanoyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one

C18H24N2O3 — CID 118738780

IUPAC9-(3-methoxypropanoyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
SMILESCOCCC(=O)N1CCCC2(CCN(c3ccccc3)C2=O)C1
InChIInChI=1S/C18H24N2O3/c1-23-13-8-16(21)19-11-5-9-18(14-19)10-12-20(17(18)22)15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3
InChIKeyOFCOZGVZNNMUPR-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.07
Rot. Bonds4

About 9-(3-methoxypropanoyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one

9-(3-methoxypropanoyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 118738780) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 9-(3-methoxypropanoyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(3-methoxypropanoyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID118738780
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name9-(3-methoxypropanoyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
SMILESCOCCC(=O)N1CCCC2(CCN(c3ccccc3)C2=O)C1
InChIInChI=1S/C18H24N2O3/c1-23-13-8-16(21)19-11-5-9-18(14-19)10-12-20(17(18)22)15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3
InChIKeyOFCOZGVZNNMUPR-UHFFFAOYSA-N
XLogP2.07
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(2-ethoxyacetyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 118738778
tert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 96531973
9-(cyclopropanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 155875537
7-[2-(2-methoxyethoxy)acetyl]-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one
CID 91920707
2-[(3-fluorophenyl)methyl]-9-(3-methoxypropanoyl)-2,9-diazaspiro[4.5]decan-1-one
CID 134075130
9-[2-(1-methoxycyclobutyl)acetyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 131688887
2-phenyl-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131638499
9-(3-fluorocyclobutanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 131679959
(5R)-9-(2-hydroxyethyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 97490514
2-[1-(1-oxo-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)cyclobutyl]acetic acid
CID 131686322
2-pyridin-3-yl-9-[3-(1H-pyrrol-2-yl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one
CID 131688959
(5R)-7-(2-methoxyethyl)-2-(3-pyridin-2-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97114044

Frequently Asked Questions

What is the IUPAC name of 9-(3-methoxypropanoyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(3-methoxypropanoyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one (CID 118738780) is 9-(3-methoxypropanoyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(3-methoxypropanoyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(3-methoxypropanoyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one is COCCC(=O)N1CCCC2(CCN(c3ccccc3)C2=O)C1.
What is the InChIKey of 9-(3-methoxypropanoyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is OFCOZGVZNNMUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-23-13-8-16(21)19-11-5-9-18(14-19)10-12-20(17(18)22)15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3.
What are the key properties of 9-(3-methoxypropanoyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
9-(3-methoxypropanoyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 316.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methoxypropanoyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118738780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).