benzyl 2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetate

C17H20N4O3 — CID 155095919

IUPACbenzyl 2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetate
SMILESO=C(CN1CCN(c2ccc(=O)[nH]n2)CC1)OCc1ccccc1
InChIInChI=1S/C17H20N4O3/c22-16-7-6-15(18-19-16)21-10-8-20(9-11-21)12-17(23)24-13-14-4-2-1-3-5-14/h1-7H,8-13H2,(H,19,22)
InChIKeyUZHJWZPSSQOTTA-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.64
Rot. Bonds5

About benzyl 2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetate

benzyl 2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetate (PubChem CID 155095919) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is benzyl 2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetate
PubChem CID155095919
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Namebenzyl 2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetate
SMILESO=C(CN1CCN(c2ccc(=O)[nH]n2)CC1)OCc1ccccc1
InChIInChI=1S/C17H20N4O3/c22-16-7-6-15(18-19-16)21-10-8-20(9-11-21)12-17(23)24-13-14-4-2-1-3-5-14/h1-7H,8-13H2,(H,19,22)
InChIKeyUZHJWZPSSQOTTA-UHFFFAOYSA-N
XLogP0.64
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 2-[4-(2-oxo-2-phenylmethoxyethyl)-1,4-diazepan-1-yl]acetate
CID 101385594
benzyl 2-(azetidin-1-yl)acetate
CID 140980014
benzyl 2-[4-(2-aminoacetyl)piperazin-1-yl]acetate
CID 67570184
2-[4-(2-oxo-2-phenylmethoxyethyl)-7,10-bis(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 121480439
benzyl 2-[4-[[(2R)-oxiran-2-yl]methyl]piperazin-1-yl]acetate
CID 167020418
benzyl 2-(1,7,13-trioxa-4,10,16-triazacyclooctadec-4-yl)acetate
CID 177188457
methyl 2-[7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,10-bis(2-oxo-2-phenylmethoxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 118103309
benzyl 2-[4-(2-methylperoxyethyl)-7,10-dipropyl-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 22971865
3-[4-(2-methoxyethyl)piperazin-1-yl]-1H-pyridazin-6-one
CID 121205962
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide
CID 91639402
benzyl 2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetate
CID 90561830
tert-butyl 2-[4-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 166766319

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetate?
The IUPAC name of benzyl 2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetate (CID 155095919) is benzyl 2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetate.
What is the SMILES notation for benzyl 2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetate?
The canonical SMILES for benzyl 2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetate is O=C(CN1CCN(c2ccc(=O)[nH]n2)CC1)OCc1ccccc1.
What is the InChIKey of benzyl 2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetate?
The InChIKey is UZHJWZPSSQOTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-16-7-6-15(18-19-16)21-10-8-20(9-11-21)12-17(23)24-13-14-4-2-1-3-5-14/h1-7H,8-13H2,(H,19,22).
What are the key properties of benzyl 2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetate?
benzyl 2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetate has a molecular weight of 328.37 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetate is sourced from PubChem (CID 155095919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).