(3S)-3-benzyl-8-(2-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one

C24H28N2O3 — CID 124993642

IUPAC(3S)-3-benzyl-8-(2-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1ccccc1C(=O)N1CCC2(CC1)C[C@H](Cc1ccccc1)N(C)C2=O
InChIInChI=1S/C24H28N2O3/c1-25-19(16-18-8-4-3-5-9-18)17-24(23(25)28)12-14-26(15-13-24)22(27)20-10-6-7-11-21(20)29-2/h3-11,19H,12-17H2,1-2H3/t19-/m0/s1
InChIKeyPZBZAEFDOJQYQQ-IBGZPJMESA-N
MW392.50 g/mol
LogP3.39
Rot. Bonds4

About (3S)-3-benzyl-8-(2-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one

(3S)-3-benzyl-8-(2-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 124993642) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is (3S)-3-benzyl-8-(2-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(3S)-3-benzyl-8-(2-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID124993642
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name(3S)-3-benzyl-8-(2-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1ccccc1C(=O)N1CCC2(CC1)C[C@H](Cc1ccccc1)N(C)C2=O
InChIInChI=1S/C24H28N2O3/c1-25-19(16-18-8-4-3-5-9-18)17-24(23(25)28)12-14-26(15-13-24)22(27)20-10-6-7-11-21(20)29-2/h3-11,19H,12-17H2,1-2H3/t19-/m0/s1
InChIKeyPZBZAEFDOJQYQQ-IBGZPJMESA-N
XLogP3.39
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-benzyl-2-methyl-8-[2-(pyrrolidin-1-ylmethyl)benzoyl]-2,8-diazaspiro[4.5]decan-1-one
CID 129455594
3-benzyl-2-methyl-8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 110138708
(3S)-3-benzyl-2-methyl-8-(2-pyrazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one
CID 124955540
(3S)-3-benzyl-8-(6-methoxypyridine-3-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one
CID 124973475
(2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 6422948
(2-methoxyphenyl)-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91918090
(3R)-3-benzyl-2-methyl-8-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 124990038
3-benzyl-8-[4-(2-fluorophenyl)oxane-4-carbonyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 132779807
(2-methoxyphenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 24720426
1-(2-methoxybenzoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide
CID 155982891
(5R)-7-(cyclopropylmethyl)-2-(2-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25311849
(4-ethylphenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 32770368

Frequently Asked Questions

What is the IUPAC name of (3S)-3-benzyl-8-(2-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of (3S)-3-benzyl-8-(2-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one (CID 124993642) is (3S)-3-benzyl-8-(2-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (3S)-3-benzyl-8-(2-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (3S)-3-benzyl-8-(2-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one is COc1ccccc1C(=O)N1CCC2(CC1)C[C@H](Cc1ccccc1)N(C)C2=O.
What is the InChIKey of (3S)-3-benzyl-8-(2-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is PZBZAEFDOJQYQQ-IBGZPJMESA-N. The full InChI is InChI=1S/C24H28N2O3/c1-25-19(16-18-8-4-3-5-9-18)17-24(23(25)28)12-14-26(15-13-24)22(27)20-10-6-7-11-21(20)29-2/h3-11,19H,12-17H2,1-2H3/t19-/m0/s1.
What are the key properties of (3S)-3-benzyl-8-(2-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
(3S)-3-benzyl-8-(2-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 392.50 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-benzyl-8-(2-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 124993642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).