[1-(6-methoxypyridazin-3-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

C18H29N5O3 — CID 89487848

IUPAC[1-(6-methoxypyridazin-3-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCOc1ccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)nn1
InChIInChI=1S/C18H29N5O3/c1-14(2)21-10-12-23(13-11-21)18(24)26-15-6-8-22(9-7-15)16-4-5-17(25-3)20-19-16/h4-5,14-15H,6-13H2,1-3H3
InChIKeyZVUUWFHRFUTHLR-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.62
Rot. Bonds4

About [1-(6-methoxypyridazin-3-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

[1-(6-methoxypyridazin-3-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 89487848) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is [1-(6-methoxypyridazin-3-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(6-methoxypyridazin-3-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID89487848
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name[1-(6-methoxypyridazin-3-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCOc1ccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)nn1
InChIInChI=1S/C18H29N5O3/c1-14(2)21-10-12-23(13-11-21)18(24)26-15-6-8-22(9-7-15)16-4-5-17(25-3)20-19-16/h4-5,14-15H,6-13H2,1-3H3
InChIKeyZVUUWFHRFUTHLR-UHFFFAOYSA-N
XLogP1.62
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.62
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-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of [1-(6-methoxypyridazin-3-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (CID 89487848) is [1-(6-methoxypyridazin-3-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for [1-(6-methoxypyridazin-3-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for [1-(6-methoxypyridazin-3-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is COc1ccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)nn1.
What is the InChIKey of [1-(6-methoxypyridazin-3-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is ZVUUWFHRFUTHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-14(2)21-10-12-23(13-11-21)18(24)26-15-6-8-22(9-7-15)16-4-5-17(25-3)20-19-16/h4-5,14-15H,6-13H2,1-3H3.
What are the key properties of [1-(6-methoxypyridazin-3-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
[1-(6-methoxypyridazin-3-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 1.62, 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-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 89487848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).