1-benzyl-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonan-6-one

C22H26N2O — CID 73013443

IUPAC1-benzyl-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonan-6-one
SMILESC[C@H](c1ccccc1)N1CCC2(CCCN2Cc2ccccc2)C1=O
InChIInChI=1S/C22H26N2O/c1-18(20-11-6-3-7-12-20)24-16-14-22(21(24)25)13-8-15-23(22)17-19-9-4-2-5-10-19/h2-7,9-12,18H,8,13-17H2,1H3/t18-,22?/m1/s1
InChIKeyHVWZDGMUOZVKHI-ZZWBGTBQSA-N
MW334.46 g/mol
LogP4.01
Rot. Bonds4

About 1-benzyl-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonan-6-one

1-benzyl-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonan-6-one (PubChem CID 73013443) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-benzyl-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonan-6-one.

Molecular Properties

Compound Name1-benzyl-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonan-6-one
PubChem CID73013443
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name1-benzyl-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonan-6-one
SMILESC[C@H](c1ccccc1)N1CCC2(CCCN2Cc2ccccc2)C1=O
InChIInChI=1S/C22H26N2O/c1-18(20-11-6-3-7-12-20)24-16-14-22(21(24)25)13-8-15-23(22)17-19-9-4-2-5-10-19/h2-7,9-12,18H,8,13-17H2,1H3/t18-,22?/m1/s1
InChIKeyHVWZDGMUOZVKHI-ZZWBGTBQSA-N
XLogP4.01
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-benzyl-1-[(4-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163317012
1-benzyl-1-azaspiro[4.4]nonan-9-one
CID 138106111
tert-butyl (5R)-6-oxo-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 73013452
2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid
CID 163311970
(6R)-1-benzyl-1-azaspiro[5.5]undecan-11-one
CID 14866444
3-benzyl-3-[(2-methylphenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 59741224
1-benzyl-2-methyl-2-propan-2-ylpyrrolidine
CID 163258380
1-benzyl-2,2-dimethylpyrrolidine
CID 10954329
CID 10495563
CID 10495563
1-[(2-chloro-4-fluorophenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162638158
4-[[10-oxo-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-1-yl]methyl]benzonitrile
CID 162626493
(2S)-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]nonan-7-yl]propanoic acid
CID 68682826

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonan-6-one?
The IUPAC name of 1-benzyl-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonan-6-one (CID 73013443) is 1-benzyl-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonan-6-one.
What is the SMILES notation for 1-benzyl-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonan-6-one?
The canonical SMILES for 1-benzyl-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonan-6-one is C[C@H](c1ccccc1)N1CCC2(CCCN2Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonan-6-one?
The InChIKey is HVWZDGMUOZVKHI-ZZWBGTBQSA-N. The full InChI is InChI=1S/C22H26N2O/c1-18(20-11-6-3-7-12-20)24-16-14-22(21(24)25)13-8-15-23(22)17-19-9-4-2-5-10-19/h2-7,9-12,18H,8,13-17H2,1H3/t18-,22?/m1/s1.
What are the key properties of 1-benzyl-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonan-6-one?
1-benzyl-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonan-6-one has a molecular weight of 334.46 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonan-6-one is sourced from PubChem (CID 73013443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).