(3S)-8-(4-hydroxybenzoyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

C22H24N2O3 — CID 97188134

IUPAC(3S)-8-(4-hydroxybenzoyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)c1ccc(O)cc1)CC2
InChIInChI=1S/C22H24N2O3/c1-23-21(27)19(16-5-3-2-4-6-16)15-22(23)11-13-24(14-12-22)20(26)17-7-9-18(25)10-8-17/h2-10,19,25H,11-15H2,1H3/t19-/m0/s1
InChIKeyMAZUPRWOFOGMHL-IBGZPJMESA-N
MW364.45 g/mol
LogP3.01
Rot. Bonds2

About (3S)-8-(4-hydroxybenzoyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

(3S)-8-(4-hydroxybenzoyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97188134) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (3S)-8-(4-hydroxybenzoyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3S)-8-(4-hydroxybenzoyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97188134
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name(3S)-8-(4-hydroxybenzoyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)c1ccc(O)cc1)CC2
InChIInChI=1S/C22H24N2O3/c1-23-21(27)19(16-5-3-2-4-6-16)15-22(23)11-13-24(14-12-22)20(26)17-7-9-18(25)10-8-17/h2-10,19,25H,11-15H2,1H3/t19-/m0/s1
InChIKeyMAZUPRWOFOGMHL-IBGZPJMESA-N
XLogP3.01
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-methyl-8-(4-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97186506
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
1-methyl-3-phenyl-8-(2-pyrrolidin-1-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
CID 72851229
(3S)-1-methyl-3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469506
1-[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopropane-1-carboxamide
CID 97195400
1-methyl-8-(oxolane-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 134072393
8-(2-ethoxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72927226
[2-[(3S)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]urea
CID 97201484
8-cyclopentyl-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72880607
(3R)-1-methyl-3-phenyl-8-(2-pyridin-3-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97195631
(4-fluorophenyl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 72866137

Frequently Asked Questions

What is the IUPAC name of (3S)-8-(4-hydroxybenzoyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3S)-8-(4-hydroxybenzoyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 97188134) is (3S)-8-(4-hydroxybenzoyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3S)-8-(4-hydroxybenzoyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3S)-8-(4-hydroxybenzoyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is CN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)c1ccc(O)cc1)CC2.
What is the InChIKey of (3S)-8-(4-hydroxybenzoyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is MAZUPRWOFOGMHL-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24N2O3/c1-23-21(27)19(16-5-3-2-4-6-16)15-22(23)11-13-24(14-12-22)20(26)17-7-9-18(25)10-8-17/h2-10,19,25H,11-15H2,1H3/t19-/m0/s1.
What are the key properties of (3S)-8-(4-hydroxybenzoyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
(3S)-8-(4-hydroxybenzoyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 364.45 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-(4-hydroxybenzoyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97188134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).