3',3'-dimethyl-1'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-piperazine]-2'-one

C23H28N2O — CID 10545686

IUPAC3',3'-dimethyl-1'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-piperazine]-2'-one
SMILESC[C@@H](c1ccccc1)N1CC2(CCCc3ccccc32)NC(C)(C)C1=O
InChIInChI=1S/C23H28N2O/c1-17(18-10-5-4-6-11-18)25-16-23(24-22(2,3)21(25)26)15-9-13-19-12-7-8-14-20(19)23/h4-8,10-12,14,17,24H,9,13,15-16H2,1-3H3/t17-,23?/m0/s1
InChIKeyQYABCNQVKYEEMW-NVHKAFQKSA-N
MW348.49 g/mol
LogP4.19
Rot. Bonds2

About 3',3'-dimethyl-1'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-piperazine]-2'-one

3',3'-dimethyl-1'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-piperazine]-2'-one (PubChem CID 10545686) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 3',3'-dimethyl-1'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-piperazine]-2'-one.

Molecular Properties

Compound Name3',3'-dimethyl-1'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-piperazine]-2'-one
PubChem CID10545686
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name3',3'-dimethyl-1'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-piperazine]-2'-one
SMILESC[C@@H](c1ccccc1)N1CC2(CCCc3ccccc32)NC(C)(C)C1=O
InChIInChI=1S/C23H28N2O/c1-17(18-10-5-4-6-11-18)25-16-23(24-22(2,3)21(25)26)15-9-13-19-12-7-8-14-20(19)23/h4-8,10-12,14,17,24H,9,13,15-16H2,1-3H3/t17-,23?/m0/s1
InChIKeyQYABCNQVKYEEMW-NVHKAFQKSA-N
XLogP4.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3',3'-dimethyl-1'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-piperazine]-2'-one with MolForge

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Related Compounds

2,2-dimethyl-4-[(1S)-1-phenylethyl]-1,4-diazaspiro[5.5]undecan-5-one
CID 15350128
1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one
CID 67266051
(4R)-2'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-isoindole]-1'-one
CID 10665782
9-(1-phenylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64957690
CID 10495563
CID 10495563
6-[(1R)-1-phenylethyl]-6-azaspiro[3.4]octane-5,8-dione
CID 10681694
(4S)-3'-[(2S)-2-hydroxy-2-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 94184393
(4R)-3'-[2-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 41208371
(4S)-3'-[(4-propan-2-ylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 7240566
2,2-dimethyl-4-(1-phenylethyl)-1,4-diazepan-5-one
CID 117023656
[1,3-bis[(1S)-1-phenylethyl]-1,3-diazinan-2-ylidene]-dimethylazanium
CID 10738008
(4S)-1'-[(1R)-2-hydroxy-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,6'-piperidine]-2'-one
CID 11759472

Frequently Asked Questions

What is the IUPAC name of 3',3'-dimethyl-1'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-piperazine]-2'-one?
The IUPAC name of 3',3'-dimethyl-1'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-piperazine]-2'-one (CID 10545686) is 3',3'-dimethyl-1'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-piperazine]-2'-one.
What is the SMILES notation for 3',3'-dimethyl-1'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-piperazine]-2'-one?
The canonical SMILES for 3',3'-dimethyl-1'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-piperazine]-2'-one is C[C@@H](c1ccccc1)N1CC2(CCCc3ccccc32)NC(C)(C)C1=O.
What is the InChIKey of 3',3'-dimethyl-1'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-piperazine]-2'-one?
The InChIKey is QYABCNQVKYEEMW-NVHKAFQKSA-N. The full InChI is InChI=1S/C23H28N2O/c1-17(18-10-5-4-6-11-18)25-16-23(24-22(2,3)21(25)26)15-9-13-19-12-7-8-14-20(19)23/h4-8,10-12,14,17,24H,9,13,15-16H2,1-3H3/t17-,23?/m0/s1.
What are the key properties of 3',3'-dimethyl-1'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-piperazine]-2'-one?
3',3'-dimethyl-1'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-piperazine]-2'-one has a molecular weight of 348.49 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3',3'-dimethyl-1'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-piperazine]-2'-one is sourced from PubChem (CID 10545686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).