1-[4-[(1R,2S)-2-amino-1,2-diphenylethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one

C23H31N3O — CID 53346023

IUPAC1-[4-[(1R,2S)-2-amino-1,2-diphenylethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN([C@H](c2ccccc2)[C@@H](N)c2ccccc2)CC1
InChIInChI=1S/C23H31N3O/c1-23(2,3)22(27)26-16-14-25(15-17-26)21(19-12-8-5-9-13-19)20(24)18-10-6-4-7-11-18/h4-13,20-21H,14-17,24H2,1-3H3/t20-,21+/m0/s1
InChIKeyOSBZHUQLELZOLU-LEWJYISDSA-N
MW365.52 g/mol
LogP3.62
Rot. Bonds4

About 1-[4-[(1R,2S)-2-amino-1,2-diphenylethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[(1R,2S)-2-amino-1,2-diphenylethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 53346023) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-[4-[(1R,2S)-2-amino-1,2-diphenylethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(1R,2S)-2-amino-1,2-diphenylethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID53346023
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name1-[4-[(1R,2S)-2-amino-1,2-diphenylethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN([C@H](c2ccccc2)[C@@H](N)c2ccccc2)CC1
InChIInChI=1S/C23H31N3O/c1-23(2,3)22(27)26-16-14-25(15-17-26)21(19-12-8-5-9-13-19)20(24)18-10-6-4-7-11-18/h4-13,20-21H,14-17,24H2,1-3H3/t20-,21+/m0/s1
InChIKeyOSBZHUQLELZOLU-LEWJYISDSA-N
XLogP3.62
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(1R,2S)-2-amino-1,2-diphenylethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-benzoylpiperazine-1-carboxamide
CID 45254237
4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 53346018
4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 53345696
2,2-dimethyl-1-[4-(3-phenylbutanoyl)piperazin-1-yl]propan-1-one
CID 134021523
2-cyclopentyl-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 42842520
1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110357769
2-arsanyl-1-(4-benzhydrylpiperazin-1-yl)-2-methyl-3,3-diphenylpropan-1-one
CID 173160090
3-amino-2-methyl-3-phenyl-1-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119899894
1-[5-[amino(phenyl)methyl]-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-one
CID 82175489
2,2-dimethyl-1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one
CID 110460739
(2R)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoic acid
CID 28705148
3-amino-2-methyl-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119898947

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R,2S)-2-amino-1,2-diphenylethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[(1R,2S)-2-amino-1,2-diphenylethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 53346023) is 1-[4-[(1R,2S)-2-amino-1,2-diphenylethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[(1R,2S)-2-amino-1,2-diphenylethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[(1R,2S)-2-amino-1,2-diphenylethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCN([C@H](c2ccccc2)[C@@H](N)c2ccccc2)CC1.
What is the InChIKey of 1-[4-[(1R,2S)-2-amino-1,2-diphenylethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is OSBZHUQLELZOLU-LEWJYISDSA-N. The full InChI is InChI=1S/C23H31N3O/c1-23(2,3)22(27)26-16-14-25(15-17-26)21(19-12-8-5-9-13-19)20(24)18-10-6-4-7-11-18/h4-13,20-21H,14-17,24H2,1-3H3/t20-,21+/m0/s1.
What are the key properties of 1-[4-[(1R,2S)-2-amino-1,2-diphenylethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[(1R,2S)-2-amino-1,2-diphenylethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 365.52 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R,2S)-2-amino-1,2-diphenylethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 53346023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).