2-methyl-1-[1-[(4-phenylphenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]propan-1-one

C24H30N2O — CID 131650091

IUPAC2-methyl-1-[1-[(4-phenylphenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC2(CCCN2Cc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C24H30N2O/c1-19(2)23(27)25-16-14-24(18-25)13-6-15-26(24)17-20-9-11-22(12-10-20)21-7-4-3-5-8-21/h3-5,7-12,19H,6,13-18H2,1-2H3
InChIKeyWPHMVSZTCBYAIT-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.58
Rot. Bonds4

About 2-methyl-1-[1-[(4-phenylphenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]propan-1-one

2-methyl-1-[1-[(4-phenylphenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]propan-1-one (PubChem CID 131650091) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 2-methyl-1-[1-[(4-phenylphenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[1-[(4-phenylphenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]propan-1-one
PubChem CID131650091
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name2-methyl-1-[1-[(4-phenylphenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC2(CCCN2Cc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C24H30N2O/c1-19(2)23(27)25-16-14-24(18-25)13-6-15-26(24)17-20-9-11-22(12-10-20)21-7-4-3-5-8-21/h3-5,7-12,19H,6,13-18H2,1-2H3
InChIKeyWPHMVSZTCBYAIT-UHFFFAOYSA-N
XLogP4.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-[1-[(4-phenylphenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]propan-1-one with MolForge

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Related Compounds

1-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one
CID 97493619
1-(1-benzyl-1,9-diazaspiro[4.5]decan-9-yl)-2-(4-chlorophenyl)ethanone
CID 131647501
[(5S)-1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl]-pyridin-4-ylmethanone
CID 95043573
1-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-methylpropan-1-one
CID 167400886
tert-butyl 1-benzyl-1,7-diazaspiro[4.4]nonane-7-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 157149578
1-[(5S)-1-[(4-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-3-methoxypropan-1-one
CID 97393060
2-(5-benzyl-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxybutanamide
CID 139371259
1-[1'-(pyridin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl]ethanone
CID 155900251
2-methyl-1-[6-[(4-phenylphenyl)methyl]-3,6-diazabicyclo[3.2.0]heptan-3-yl]propan-1-one
CID 134076362
1-[(5R)-9-benzoyl-1,9-diazaspiro[4.5]decan-1-yl]-2-methylpropan-1-one
CID 97481590
(5S)-2-(2-methylpropanoyl)-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26412240
1-[1-[(4-chloro-3-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 145315822

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-[(4-phenylphenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[1-[(4-phenylphenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]propan-1-one (CID 131650091) is 2-methyl-1-[1-[(4-phenylphenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[1-[(4-phenylphenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[1-[(4-phenylphenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]propan-1-one is CC(C)C(=O)N1CCC2(CCCN2Cc2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 2-methyl-1-[1-[(4-phenylphenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]propan-1-one?
The InChIKey is WPHMVSZTCBYAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-19(2)23(27)25-16-14-24(18-25)13-6-15-26(24)17-20-9-11-22(12-10-20)21-7-4-3-5-8-21/h3-5,7-12,19H,6,13-18H2,1-2H3.
What are the key properties of 2-methyl-1-[1-[(4-phenylphenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]propan-1-one?
2-methyl-1-[1-[(4-phenylphenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]propan-1-one has a molecular weight of 362.52 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-[(4-phenylphenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]propan-1-one is sourced from PubChem (CID 131650091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).