ethyl 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylate

C17H23N3O4 — CID 122246383

IUPACethyl 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cn2nc(C3CC3)ccc2=O)CC1
InChIInChI=1S/C17H23N3O4/c1-2-24-17(23)13-7-9-19(10-8-13)16(22)11-20-15(21)6-5-14(18-20)12-3-4-12/h5-6,12-13H,2-4,7-11H2,1H3
InChIKeyKQMMSQZFTBKHFF-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.92
Rot. Bonds5

About ethyl 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylate (PubChem CID 122246383) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is ethyl 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylate
PubChem CID122246383
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Nameethyl 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cn2nc(C3CC3)ccc2=O)CC1
InChIInChI=1S/C17H23N3O4/c1-2-24-17(23)13-7-9-19(10-8-13)16(22)11-20-15(21)6-5-14(18-20)12-3-4-12/h5-6,12-13H,2-4,7-11H2,1H3
InChIKeyKQMMSQZFTBKHFF-UHFFFAOYSA-N
XLogP0.92
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 122160609
6-cyclopropyl-2-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 122278622
ethyl 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate
CID 78791788
ethyl 1-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetyl]piperidine-3-carboxylate
CID 15997395
ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carboxylate
CID 86982347
6-cyclopropyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 122278600
ethyl 1-[2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)acetyl]piperidine-4-carboxylate
CID 53090714
6-cyclopropyl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 122160611
ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]piperidine-4-carboxylate
CID 61118509
ethyl 1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxylate
CID 46356947
ethyl 1-[2-(4-ethylphenyl)acetyl]piperidine-4-carboxylate
CID 99705064
ethyl 1-[2-(triazol-1-yl)acetyl]piperidine-4-carboxylate
CID 79806253

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylate (CID 122246383) is ethyl 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Cn2nc(C3CC3)ccc2=O)CC1.
What is the InChIKey of ethyl 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylate?
The InChIKey is KQMMSQZFTBKHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-2-24-17(23)13-7-9-19(10-8-13)16(22)11-20-15(21)6-5-14(18-20)12-3-4-12/h5-6,12-13H,2-4,7-11H2,1H3.
What are the key properties of ethyl 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylate has a molecular weight of 333.39 g/mol, XLogP of 0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 122246383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).