8-(3,5-dimethylbenzoyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one

C23H27N3O2 — CID 131680168

IUPAC8-(3,5-dimethylbenzoyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1cc(C)cc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2cccnc2)C3)c1
InChIInChI=1S/C23H27N3O2/c1-17-10-18(2)12-20(11-17)22(28)25-8-5-23(6-9-25)13-21(27)26(16-23)15-19-4-3-7-24-14-19/h3-4,7,10-12,14H,5-6,8-9,13,15-16H2,1-2H3
InChIKeyKVVWLRKVLWNRPG-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.35
Rot. Bonds3

About 8-(3,5-dimethylbenzoyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one

8-(3,5-dimethylbenzoyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 131680168) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 8-(3,5-dimethylbenzoyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(3,5-dimethylbenzoyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID131680168
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name8-(3,5-dimethylbenzoyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1cc(C)cc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2cccnc2)C3)c1
InChIInChI=1S/C23H27N3O2/c1-17-10-18(2)12-20(11-17)22(28)25-8-5-23(6-9-25)13-21(27)26(16-23)15-19-4-3-7-24-14-19/h3-4,7,10-12,14H,5-6,8-9,13,15-16H2,1-2H3
InChIKeyKVVWLRKVLWNRPG-UHFFFAOYSA-N
XLogP3.35
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(3,5-dimethylbenzoyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one with MolForge

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Related Compounds

8-(pyridine-4-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98895861
8-(1-methylpyrazole-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98896945
2-(pyridin-3-ylmethyl)-8-(thiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98895883
8-(2-ethoxyacetyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98896665
2-benzyl-8-(pyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72853673
9-(3-methylbenzoyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72905211
9-(3,5-dimethylbenzoyl)-3-methyl-13-(pyridin-3-ylmethyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one;bis(2,2,2-trifluoroacetic acid)
CID 155835909
9-(4-methylpiperazine-1-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72937261
8-[(2-fluorophenyl)methyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98895518
8-[(1S,2R)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 98896327
2-(3-phenylprop-2-enyl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 91940770
8-cyclopropylsulfonyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
CID 155853425

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dimethylbenzoyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(3,5-dimethylbenzoyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one (CID 131680168) is 8-(3,5-dimethylbenzoyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(3,5-dimethylbenzoyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(3,5-dimethylbenzoyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one is Cc1cc(C)cc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2cccnc2)C3)c1.
What is the InChIKey of 8-(3,5-dimethylbenzoyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is KVVWLRKVLWNRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-17-10-18(2)12-20(11-17)22(28)25-8-5-23(6-9-25)13-21(27)26(16-23)15-19-4-3-7-24-14-19/h3-4,7,10-12,14H,5-6,8-9,13,15-16H2,1-2H3.
What are the key properties of 8-(3,5-dimethylbenzoyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
8-(3,5-dimethylbenzoyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 377.49 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-dimethylbenzoyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 131680168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).