[1-(6-methoxypyridazin-3-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate

C19H29N5O3 — CID 89487553

IUPAC[1-(6-methoxypyridazin-3-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
SMILESCOc1ccc(N2CCC(OC(=O)N3CCN(C4CCC4)CC3)CC2)nn1
InChIInChI=1S/C19H29N5O3/c1-26-18-6-5-17(20-21-18)23-9-7-16(8-10-23)27-19(25)24-13-11-22(12-14-24)15-3-2-4-15/h5-6,15-16H,2-4,7-14H2,1H3
InChIKeyFWXAFACMMYIRLH-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.76
Rot. Bonds4

About [1-(6-methoxypyridazin-3-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate

[1-(6-methoxypyridazin-3-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate (PubChem CID 89487553) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is [1-(6-methoxypyridazin-3-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(6-methoxypyridazin-3-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
PubChem CID89487553
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name[1-(6-methoxypyridazin-3-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
SMILESCOc1ccc(N2CCC(OC(=O)N3CCN(C4CCC4)CC3)CC2)nn1
InChIInChI=1S/C19H29N5O3/c1-26-18-6-5-17(20-21-18)23-9-7-16(8-10-23)27-19(25)24-13-11-22(12-14-24)15-3-2-4-15/h5-6,15-16H,2-4,7-14H2,1H3
InChIKeyFWXAFACMMYIRLH-UHFFFAOYSA-N
XLogP1.76
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(6-methoxypyridazin-3-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate?
The IUPAC name of [1-(6-methoxypyridazin-3-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate (CID 89487553) is [1-(6-methoxypyridazin-3-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate.
What is the SMILES notation for [1-(6-methoxypyridazin-3-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate?
The canonical SMILES for [1-(6-methoxypyridazin-3-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate is COc1ccc(N2CCC(OC(=O)N3CCN(C4CCC4)CC3)CC2)nn1.
What is the InChIKey of [1-(6-methoxypyridazin-3-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate?
The InChIKey is FWXAFACMMYIRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-26-18-6-5-17(20-21-18)23-9-7-16(8-10-23)27-19(25)24-13-11-22(12-14-24)15-3-2-4-15/h5-6,15-16H,2-4,7-14H2,1H3.
What are the key properties of [1-(6-methoxypyridazin-3-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate?
[1-(6-methoxypyridazin-3-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate has a molecular weight of 375.47 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methoxypyridazin-3-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate is sourced from PubChem (CID 89487553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).