[1-[4-(2-methylhydrazinyl)phenyl]-2-oxo-2-piperazin-1-ylethyl] formate

C14H20N4O3 — CID 144981801

IUPAC[1-[4-(2-methylhydrazinyl)phenyl]-2-oxo-2-piperazin-1-ylethyl] formate
SMILESCNNc1ccc(C(OC=O)C(=O)N2CCNCC2)cc1
InChIInChI=1S/C14H20N4O3/c1-15-17-12-4-2-11(3-5-12)13(21-10-19)14(20)18-8-6-16-7-9-18/h2-5,10,13,15-17H,6-9H2,1H3
InChIKeyXPNZLWUVTDAMJV-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.12
Rot. Bonds6

About [1-[4-(2-methylhydrazinyl)phenyl]-2-oxo-2-piperazin-1-ylethyl] formate

[1-[4-(2-methylhydrazinyl)phenyl]-2-oxo-2-piperazin-1-ylethyl] formate (PubChem CID 144981801) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is [1-[4-(2-methylhydrazinyl)phenyl]-2-oxo-2-piperazin-1-ylethyl] formate.

Molecular Properties

Compound Name[1-[4-(2-methylhydrazinyl)phenyl]-2-oxo-2-piperazin-1-ylethyl] formate
PubChem CID144981801
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name[1-[4-(2-methylhydrazinyl)phenyl]-2-oxo-2-piperazin-1-ylethyl] formate
SMILESCNNc1ccc(C(OC=O)C(=O)N2CCNCC2)cc1
InChIInChI=1S/C14H20N4O3/c1-15-17-12-4-2-11(3-5-12)13(21-10-19)14(20)18-8-6-16-7-9-18/h2-5,10,13,15-17H,6-9H2,1H3
InChIKeyXPNZLWUVTDAMJV-UHFFFAOYSA-N
XLogP-0.12
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[1-formyloxy-2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]carbamothioic S-acid
CID 144981796
2-methoxy-1-piperazin-1-yl-2-pyridin-4-ylethanone
CID 154975976
3-methyl-2-phenyl-1-piperazin-1-ylbutan-1-one
CID 82086271
2-(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402873
2-phenyl-1-piperazin-1-ylpropan-1-one
CID 52983882
2-(methylamino)-1-piperazin-1-yl-2-thiophen-3-ylethanone
CID 82511218
2-ethoxy-3-oxo-3-piperazin-1-ylpropanal
CID 173294879
3-(4-bromophenyl)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 82095106
2-hydrazinyl-2-phenyl-1-piperazin-1-ylethanone
CID 82510408
2-(N-phenylanilino)-1-piperazin-1-ylpropan-1-one
CID 10470597
tert-butyl formate;N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 174768397
4-nitro-N-[4-(1-oxo-1-piperazin-1-ylpropan-2-yl)phenyl]benzamide
CID 23875488

Frequently Asked Questions

What is the IUPAC name of [1-[4-(2-methylhydrazinyl)phenyl]-2-oxo-2-piperazin-1-ylethyl] formate?
The IUPAC name of [1-[4-(2-methylhydrazinyl)phenyl]-2-oxo-2-piperazin-1-ylethyl] formate (CID 144981801) is [1-[4-(2-methylhydrazinyl)phenyl]-2-oxo-2-piperazin-1-ylethyl] formate.
What is the SMILES notation for [1-[4-(2-methylhydrazinyl)phenyl]-2-oxo-2-piperazin-1-ylethyl] formate?
The canonical SMILES for [1-[4-(2-methylhydrazinyl)phenyl]-2-oxo-2-piperazin-1-ylethyl] formate is CNNc1ccc(C(OC=O)C(=O)N2CCNCC2)cc1.
What is the InChIKey of [1-[4-(2-methylhydrazinyl)phenyl]-2-oxo-2-piperazin-1-ylethyl] formate?
The InChIKey is XPNZLWUVTDAMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-15-17-12-4-2-11(3-5-12)13(21-10-19)14(20)18-8-6-16-7-9-18/h2-5,10,13,15-17H,6-9H2,1H3.
What are the key properties of [1-[4-(2-methylhydrazinyl)phenyl]-2-oxo-2-piperazin-1-ylethyl] formate?
[1-[4-(2-methylhydrazinyl)phenyl]-2-oxo-2-piperazin-1-ylethyl] formate has a molecular weight of 292.34 g/mol, XLogP of -0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2-methylhydrazinyl)phenyl]-2-oxo-2-piperazin-1-ylethyl] formate is sourced from PubChem (CID 144981801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).