2,2-dimethyl-4-[(1S)-1-phenylethyl]-1,4-diazaspiro[5.5]undecan-5-one

C19H28N2O — CID 15350128

IUPAC2,2-dimethyl-4-[(1S)-1-phenylethyl]-1,4-diazaspiro[5.5]undecan-5-one
SMILESC[C@@H](c1ccccc1)N1CC(C)(C)NC2(CCCCC2)C1=O
InChIInChI=1S/C19H28N2O/c1-15(16-10-6-4-7-11-16)21-14-18(2,3)20-19(17(21)22)12-8-5-9-13-19/h4,6-7,10-11,15,20H,5,8-9,12-14H2,1-3H3/t15-/m0/s1
InChIKeyGKPUVEXHIMUGFF-HNNXBMFYSA-N
MW300.45 g/mol
LogP3.66
Rot. Bonds2

About 2,2-dimethyl-4-[(1S)-1-phenylethyl]-1,4-diazaspiro[5.5]undecan-5-one

2,2-dimethyl-4-[(1S)-1-phenylethyl]-1,4-diazaspiro[5.5]undecan-5-one (PubChem CID 15350128) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 2,2-dimethyl-4-[(1S)-1-phenylethyl]-1,4-diazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name2,2-dimethyl-4-[(1S)-1-phenylethyl]-1,4-diazaspiro[5.5]undecan-5-one
PubChem CID15350128
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name2,2-dimethyl-4-[(1S)-1-phenylethyl]-1,4-diazaspiro[5.5]undecan-5-one
SMILESC[C@@H](c1ccccc1)N1CC(C)(C)NC2(CCCCC2)C1=O
InChIInChI=1S/C19H28N2O/c1-15(16-10-6-4-7-11-16)21-14-18(2,3)20-19(17(21)22)12-8-5-9-13-19/h4,6-7,10-11,15,20H,5,8-9,12-14H2,1-3H3/t15-/m0/s1
InChIKeyGKPUVEXHIMUGFF-HNNXBMFYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(1-phenylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64957690
CID 10495563
CID 10495563
3',3'-dimethyl-1'-[(1S)-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-piperazine]-2'-one
CID 10545686
2,2-dimethyl-4-(1-phenylethyl)-1,4-diazepan-5-one
CID 117023656
9-[1-(3-chlorophenyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64965352
6-[(1R)-1-phenylethyl]-6-azaspiro[3.4]octane-5,8-dione
CID 10681694
9-(1-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64969579
9-(1-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64963817
(3R,4S)-3-fluoro-4-(1-methylcyclobutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 159987435
3,4,4-trimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 70991873
1-(1-methylcyclohexyl)ethylbenzene
CID 139768950
4-(1-phenylethyl)-1,3-dihydroquinoxalin-2-one
CID 117006573

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[(1S)-1-phenylethyl]-1,4-diazaspiro[5.5]undecan-5-one?
The IUPAC name of 2,2-dimethyl-4-[(1S)-1-phenylethyl]-1,4-diazaspiro[5.5]undecan-5-one (CID 15350128) is 2,2-dimethyl-4-[(1S)-1-phenylethyl]-1,4-diazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 2,2-dimethyl-4-[(1S)-1-phenylethyl]-1,4-diazaspiro[5.5]undecan-5-one?
The canonical SMILES for 2,2-dimethyl-4-[(1S)-1-phenylethyl]-1,4-diazaspiro[5.5]undecan-5-one is C[C@@H](c1ccccc1)N1CC(C)(C)NC2(CCCCC2)C1=O.
What is the InChIKey of 2,2-dimethyl-4-[(1S)-1-phenylethyl]-1,4-diazaspiro[5.5]undecan-5-one?
The InChIKey is GKPUVEXHIMUGFF-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-15(16-10-6-4-7-11-16)21-14-18(2,3)20-19(17(21)22)12-8-5-9-13-19/h4,6-7,10-11,15,20H,5,8-9,12-14H2,1-3H3/t15-/m0/s1.
What are the key properties of 2,2-dimethyl-4-[(1S)-1-phenylethyl]-1,4-diazaspiro[5.5]undecan-5-one?
2,2-dimethyl-4-[(1S)-1-phenylethyl]-1,4-diazaspiro[5.5]undecan-5-one has a molecular weight of 300.45 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[(1S)-1-phenylethyl]-1,4-diazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 15350128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).