2-amino-1-(2,2-dimethyl-4-oxidopiperazin-1-yl)-3-phenylpropan-1-one

C15H22N3O2- — CID 88695197

IUPAC2-amino-1-(2,2-dimethyl-4-oxidopiperazin-1-yl)-3-phenylpropan-1-one
SMILESCC1(C)CN([O-])CCN1C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C15H22N3O2/c1-15(2)11-17(20)8-9-18(15)14(19)13(16)10-12-6-4-3-5-7-12/h3-7,13H,8-11,16H2,1-2H3/q-1
InChIKeyVYKCOBWTQYOREV-UHFFFAOYSA-N
MW276.36 g/mol
LogP0.98
Rot. Bonds3

About 2-amino-1-(2,2-dimethyl-4-oxidopiperazin-1-yl)-3-phenylpropan-1-one

2-amino-1-(2,2-dimethyl-4-oxidopiperazin-1-yl)-3-phenylpropan-1-one (PubChem CID 88695197) has the molecular formula C15H22N3O2- and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-amino-1-(2,2-dimethyl-4-oxidopiperazin-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,2-dimethyl-4-oxidopiperazin-1-yl)-3-phenylpropan-1-one
PubChem CID88695197
Molecular FormulaC15H22N3O2-
Molecular Weight276.36 g/mol
Exact Mass276.17
IUPAC Name2-amino-1-(2,2-dimethyl-4-oxidopiperazin-1-yl)-3-phenylpropan-1-one
SMILESCC1(C)CN([O-])CCN1C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C15H22N3O2/c1-15(2)11-17(20)8-9-18(15)14(19)13(16)10-12-6-4-3-5-7-12/h3-7,13H,8-11,16H2,1-2H3/q-1
InChIKeyVYKCOBWTQYOREV-UHFFFAOYSA-N
XLogP0.98
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61430243
(2S)-2-amino-1-(4-oxidopiperazin-1-yl)-3-phenylpropan-1-one
CID 88677274
2-amino-1-(3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119295543
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119294272
(2S)-2-amino-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-3-(4-phenylphenyl)propan-1-one
CID 23645383
1-[(2S)-2-amino-3-phenylpropanoyl]-3-methylpiperidine-3-carboxylic acid
CID 63134188
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-3-phenylpropan-1-one
CID 61430391
2-amino-1-(2-methyloxiran-2-yl)-3-phenylpropan-1-one
CID 59360950
2-amino-1-[(2S)-2-methyloxiran-2-yl]-3-phenylpropan-1-one
CID 144572349
2-amino-1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-phenylpropan-1-one
CID 57096305
4-(2-amino-3-phenylpropanoyl)-1-methyl-1,4-diazepan-2-one
CID 102888989

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,2-dimethyl-4-oxidopiperazin-1-yl)-3-phenylpropan-1-one?
The IUPAC name of 2-amino-1-(2,2-dimethyl-4-oxidopiperazin-1-yl)-3-phenylpropan-1-one (CID 88695197) is 2-amino-1-(2,2-dimethyl-4-oxidopiperazin-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-(2,2-dimethyl-4-oxidopiperazin-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-(2,2-dimethyl-4-oxidopiperazin-1-yl)-3-phenylpropan-1-one is CC1(C)CN([O-])CCN1C(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-1-(2,2-dimethyl-4-oxidopiperazin-1-yl)-3-phenylpropan-1-one?
The InChIKey is VYKCOBWTQYOREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N3O2/c1-15(2)11-17(20)8-9-18(15)14(19)13(16)10-12-6-4-3-5-7-12/h3-7,13H,8-11,16H2,1-2H3/q-1.
What are the key properties of 2-amino-1-(2,2-dimethyl-4-oxidopiperazin-1-yl)-3-phenylpropan-1-one?
2-amino-1-(2,2-dimethyl-4-oxidopiperazin-1-yl)-3-phenylpropan-1-one has a molecular weight of 276.36 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,2-dimethyl-4-oxidopiperazin-1-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 88695197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).