[(2R)-1-hydrazinyl-1-oxopropan-2-yl] 2-(4-phenylpiperazin-1-yl)acetate

C15H22N4O3 — CID 99906797

IUPAC[(2R)-1-hydrazinyl-1-oxopropan-2-yl] 2-(4-phenylpiperazin-1-yl)acetate
SMILESC[C@@H](OC(=O)CN1CCN(c2ccccc2)CC1)C(=O)NN
InChIInChI=1S/C15H22N4O3/c1-12(15(21)17-16)22-14(20)11-18-7-9-19(10-8-18)13-5-3-2-4-6-13/h2-6,12H,7-11,16H2,1H3,(H,17,21)/t12-/m1/s1
InChIKeyOADBRPIEPXNACA-GFCCVEGCSA-N
MW306.37 g/mol
LogP-0.27
Rot. Bonds5

About [(2R)-1-hydrazinyl-1-oxopropan-2-yl] 2-(4-phenylpiperazin-1-yl)acetate

[(2R)-1-hydrazinyl-1-oxopropan-2-yl] 2-(4-phenylpiperazin-1-yl)acetate (PubChem CID 99906797) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is [(2R)-1-hydrazinyl-1-oxopropan-2-yl] 2-(4-phenylpiperazin-1-yl)acetate.

Molecular Properties

Compound Name[(2R)-1-hydrazinyl-1-oxopropan-2-yl] 2-(4-phenylpiperazin-1-yl)acetate
PubChem CID99906797
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name[(2R)-1-hydrazinyl-1-oxopropan-2-yl] 2-(4-phenylpiperazin-1-yl)acetate
SMILESC[C@@H](OC(=O)CN1CCN(c2ccccc2)CC1)C(=O)NN
InChIInChI=1S/C15H22N4O3/c1-12(15(21)17-16)22-14(20)11-18-7-9-19(10-8-18)13-5-3-2-4-6-13/h2-6,12H,7-11,16H2,1H3,(H,17,21)/t12-/m1/s1
InChIKeyOADBRPIEPXNACA-GFCCVEGCSA-N
XLogP-0.27
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(4-phenylpiperazin-1-yl)acetate
CID 3044259
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-(4-benzylpiperazin-1-yl)acetate
CID 95635747
(2R)-3-methyl-2-(4-phenylpiperazin-1-yl)butanehydrazide
CID 30403786
2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]propanamide
CID 154447735
propan-2-yl 2-[4-(4-methoxyphenyl)piperazin-1-yl]acetate
CID 60688983
propan-2-yl 2-[4-(3-methoxyphenyl)piperazin-1-yl]acetate
CID 60690618
[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(2,5-dioxopyrrolidin-1-yl)acetate
CID 47011606
N-(3-methylbutyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 109002098
2,2-dimethyl-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 79627852
N-(2-acetamidoethyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 36845543
N-[2,6-di(propan-2-yl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 4797794
N-(2-methyl-1-phenylpropyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 51284732

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-hydrazinyl-1-oxopropan-2-yl] 2-(4-phenylpiperazin-1-yl)acetate?
The IUPAC name of [(2R)-1-hydrazinyl-1-oxopropan-2-yl] 2-(4-phenylpiperazin-1-yl)acetate (CID 99906797) is [(2R)-1-hydrazinyl-1-oxopropan-2-yl] 2-(4-phenylpiperazin-1-yl)acetate.
What is the SMILES notation for [(2R)-1-hydrazinyl-1-oxopropan-2-yl] 2-(4-phenylpiperazin-1-yl)acetate?
The canonical SMILES for [(2R)-1-hydrazinyl-1-oxopropan-2-yl] 2-(4-phenylpiperazin-1-yl)acetate is C[C@@H](OC(=O)CN1CCN(c2ccccc2)CC1)C(=O)NN.
What is the InChIKey of [(2R)-1-hydrazinyl-1-oxopropan-2-yl] 2-(4-phenylpiperazin-1-yl)acetate?
The InChIKey is OADBRPIEPXNACA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-12(15(21)17-16)22-14(20)11-18-7-9-19(10-8-18)13-5-3-2-4-6-13/h2-6,12H,7-11,16H2,1H3,(H,17,21)/t12-/m1/s1.
What are the key properties of [(2R)-1-hydrazinyl-1-oxopropan-2-yl] 2-(4-phenylpiperazin-1-yl)acetate?
[(2R)-1-hydrazinyl-1-oxopropan-2-yl] 2-(4-phenylpiperazin-1-yl)acetate has a molecular weight of 306.37 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-hydrazinyl-1-oxopropan-2-yl] 2-(4-phenylpiperazin-1-yl)acetate is sourced from PubChem (CID 99906797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).