methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate

C12H16N4O3 — CID 79099458

IUPACmethyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ccc(C(N)=O)nn2)CC1
InChIInChI=1S/C12H16N4O3/c1-19-12(18)8-4-6-16(7-5-8)10-3-2-9(11(13)17)14-15-10/h2-3,8H,4-7H2,1H3,(H2,13,17)
InChIKeyZWJWCOPEKPEOIU-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.04
Rot. Bonds3

About methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate

methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate (PubChem CID 79099458) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate
PubChem CID79099458
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Namemethyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ccc(C(N)=O)nn2)CC1
InChIInChI=1S/C12H16N4O3/c1-19-12(18)8-4-6-16(7-5-8)10-3-2-9(11(13)17)14-15-10/h2-3,8H,4-7H2,1H3,(H2,13,17)
InChIKeyZWJWCOPEKPEOIU-UHFFFAOYSA-N
XLogP-0.04
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate (CID 79099458) is methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate is COC(=O)C1CCN(c2ccc(C(N)=O)nn2)CC1.
What is the InChIKey of methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate?
The InChIKey is ZWJWCOPEKPEOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-19-12(18)8-4-6-16(7-5-8)10-3-2-9(11(13)17)14-15-10/h2-3,8H,4-7H2,1H3,(H2,13,17).
What are the key properties of methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate?
methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate has a molecular weight of 264.28 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate is sourced from PubChem (CID 79099458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).