1-methyl-8-(oxolane-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

C20H26N2O3 — CID 134072393

IUPAC1-methyl-8-(oxolane-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)C(c2ccccc2)CC12CCN(C(=O)C1CCOC1)CC2
InChIInChI=1S/C20H26N2O3/c1-21-19(24)17(15-5-3-2-4-6-15)13-20(21)8-10-22(11-9-20)18(23)16-7-12-25-14-16/h2-6,16-17H,7-14H2,1H3
InChIKeyVJGFIRYIISNDBV-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.03
Rot. Bonds2

About 1-methyl-8-(oxolane-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

1-methyl-8-(oxolane-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 134072393) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-methyl-8-(oxolane-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-methyl-8-(oxolane-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID134072393
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-methyl-8-(oxolane-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)C(c2ccccc2)CC12CCN(C(=O)C1CCOC1)CC2
InChIInChI=1S/C20H26N2O3/c1-21-19(24)17(15-5-3-2-4-6-15)13-20(21)8-10-22(11-9-20)18(23)16-7-12-25-14-16/h2-6,16-17H,7-14H2,1H3
InChIKeyVJGFIRYIISNDBV-UHFFFAOYSA-N
XLogP2.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-8-(oxolane-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-8-(4-hydroxybenzoyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97188134
1-[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopropane-1-carboxamide
CID 97195400
(3R)-1-methyl-8-(4-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97186506
1-methyl-3-phenyl-8-(2-pyrrolidin-1-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
CID 72851229
8-(2-ethoxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72927226
1-methyl-3-phenyl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131659093
(3R)-8-(6-aminopyridine-3-carbonyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97204970
(4R,5S)-2-methyl-7-[(3S)-oxolane-3-carbonyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 98777017
(3S)-1-methyl-3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469506
[2-[(3S)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]urea
CID 97201484
(3R)-1-methyl-3-phenyl-8-(2-pyridin-3-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97195631
[(3S)-oxolan-3-yl]-[(3R)-3-phenylazepan-1-yl]methanone
CID 129354509

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-(oxolane-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-methyl-8-(oxolane-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 134072393) is 1-methyl-8-(oxolane-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-methyl-8-(oxolane-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-methyl-8-(oxolane-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is CN1C(=O)C(c2ccccc2)CC12CCN(C(=O)C1CCOC1)CC2.
What is the InChIKey of 1-methyl-8-(oxolane-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is VJGFIRYIISNDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-21-19(24)17(15-5-3-2-4-6-15)13-20(21)8-10-22(11-9-20)18(23)16-7-12-25-14-16/h2-6,16-17H,7-14H2,1H3.
What are the key properties of 1-methyl-8-(oxolane-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
1-methyl-8-(oxolane-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 342.44 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-(oxolane-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 134072393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).