1-[2-[(4-methylphenyl)methyl]benzoyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one

C26H32N2O2 — CID 162631168

IUPAC1-[2-[(4-methylphenyl)methyl]benzoyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCCCN1CCCC2(CCCN2C(=O)c2ccccc2Cc2ccc(C)cc2)C1=O
InChIInChI=1S/C26H32N2O2/c1-3-16-27-17-6-14-26(25(27)30)15-7-18-28(26)24(29)23-9-5-4-8-22(23)19-21-12-10-20(2)11-13-21/h4-5,8-13H,3,6-7,14-19H2,1-2H3
InChIKeyQOVWGVFKQDCWGN-UHFFFAOYSA-N
MW404.55 g/mol
LogP4.59
Rot. Bonds5

About 1-[2-[(4-methylphenyl)methyl]benzoyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one

1-[2-[(4-methylphenyl)methyl]benzoyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162631168) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is 1-[2-[(4-methylphenyl)methyl]benzoyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[2-[(4-methylphenyl)methyl]benzoyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162631168
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC Name1-[2-[(4-methylphenyl)methyl]benzoyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCCCN1CCCC2(CCCN2C(=O)c2ccccc2Cc2ccc(C)cc2)C1=O
InChIInChI=1S/C26H32N2O2/c1-3-16-27-17-6-14-26(25(27)30)15-7-18-28(26)24(29)23-9-5-4-8-22(23)19-21-12-10-20(2)11-13-21/h4-5,8-13H,3,6-7,14-19H2,1-2H3
InChIKeyQOVWGVFKQDCWGN-UHFFFAOYSA-N
XLogP4.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(10-oxo-9-propyl-1,9-diazaspiro[4.5]decane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 162638931
1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162638324
9-propyl-1-[2-[2-(trifluoromethyl)phenyl]acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162628852
1-(3-chloro-5-methylbenzoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162629419
1-(3-methyl-1,2-oxazole-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162634313
1-[3-(2,4-dimethylphenyl)propanoyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162625940
[4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-[2-[(4-methylphenyl)methyl]phenyl]methanone
CID 90648190
1-[2-(1,3-benzodioxol-5-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162629125
1-(2-ethylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162629640
1-(2-methyl-3H-benzimidazole-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162628389
1-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162637228
1-[2-(2H-indazol-3-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 163313724

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methylphenyl)methyl]benzoyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[2-[(4-methylphenyl)methyl]benzoyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one (CID 162631168) is 1-[2-[(4-methylphenyl)methyl]benzoyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[2-[(4-methylphenyl)methyl]benzoyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[2-[(4-methylphenyl)methyl]benzoyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one is CCCN1CCCC2(CCCN2C(=O)c2ccccc2Cc2ccc(C)cc2)C1=O.
What is the InChIKey of 1-[2-[(4-methylphenyl)methyl]benzoyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is QOVWGVFKQDCWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2/c1-3-16-27-17-6-14-26(25(27)30)15-7-18-28(26)24(29)23-9-5-4-8-22(23)19-21-12-10-20(2)11-13-21/h4-5,8-13H,3,6-7,14-19H2,1-2H3.
What are the key properties of 1-[2-[(4-methylphenyl)methyl]benzoyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
1-[2-[(4-methylphenyl)methyl]benzoyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 404.55 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methylphenyl)methyl]benzoyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162631168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).