[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-[(1R)-1-phenylethyl]azanium

C21H28N3O+ — CID 9248828

IUPAC[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-[(1R)-1-phenylethyl]azanium
SMILESC[C@@H]([NH2+][C@H](C)c1ccccc1)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H27N3O/c1-17(19-9-5-3-6-10-19)22-18(2)21(25)24-15-13-23(14-16-24)20-11-7-4-8-12-20/h3-12,17-18,22H,13-16H2,1-2H3/p+1/t17-,18-/m1/s1
InChIKeyDMGNLSVNACWEQL-QZTJIDSGSA-O
MW338.48 g/mol
LogP2.05
Rot. Bonds5

About [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-[(1R)-1-phenylethyl]azanium

[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-[(1R)-1-phenylethyl]azanium (PubChem CID 9248828) has the molecular formula C21H28N3O+ and a molecular weight of 338.48 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-[(1R)-1-phenylethyl]azanium.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-[(1R)-1-phenylethyl]azanium
PubChem CID9248828
Molecular FormulaC21H28N3O+
Molecular Weight338.48 g/mol
Exact Mass338.22
IUPAC Name[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-[(1R)-1-phenylethyl]azanium
SMILESC[C@@H]([NH2+][C@H](C)c1ccccc1)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H27N3O/c1-17(19-9-5-3-6-10-19)22-18(2)21(25)24-15-13-23(14-16-24)20-11-7-4-8-12-20/h3-12,17-18,22H,13-16H2,1-2H3/p+1/t17-,18-/m1/s1
InChIKeyDMGNLSVNACWEQL-QZTJIDSGSA-O
XLogP2.05
TPSA40.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-[(1R)-1-phenylethyl]azanium with MolForge

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Related Compounds

(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
(2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 9276559
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 71829787
(2S)-2-(4-acetylpiperazin-1-ium-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 9276554
N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 2558168
2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 79195732
3-[methyl-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]propanoic acid
CID 119912257
(2R)-2-phenyl-1-[4-[(2R)-2-phenylpropanoyl]piperazin-1-yl]propan-1-one
CID 94855656
2-(1-phenylethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 108997260
2-(azetidin-3-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 116674439
2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119826867
2-(3,5-dimethoxyphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 17395855

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-[(1R)-1-phenylethyl]azanium?
The IUPAC name of [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-[(1R)-1-phenylethyl]azanium (CID 9248828) is [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-[(1R)-1-phenylethyl]azanium.
What is the SMILES notation for [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-[(1R)-1-phenylethyl]azanium?
The canonical SMILES for [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-[(1R)-1-phenylethyl]azanium is C[C@@H]([NH2+][C@H](C)c1ccccc1)C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-[(1R)-1-phenylethyl]azanium?
The InChIKey is DMGNLSVNACWEQL-QZTJIDSGSA-O. The full InChI is InChI=1S/C21H27N3O/c1-17(19-9-5-3-6-10-19)22-18(2)21(25)24-15-13-23(14-16-24)20-11-7-4-8-12-20/h3-12,17-18,22H,13-16H2,1-2H3/p+1/t17-,18-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-[(1R)-1-phenylethyl]azanium?
[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-[(1R)-1-phenylethyl]azanium has a molecular weight of 338.48 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-[(1R)-1-phenylethyl]azanium is sourced from PubChem (CID 9248828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).