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

C18H29N5O3 — CID 71522736

IUPAC(6-methoxypyridazin-3-yl) 2-piperidin-4-yl-4-propan-2-ylpiperazine-1-carboxylate
SMILESCOc1ccc(OC(=O)N2CCN(C(C)C)CC2C2CCNCC2)nn1
InChIInChI=1S/C18H29N5O3/c1-13(2)22-10-11-23(15(12-22)14-6-8-19-9-7-14)18(24)26-17-5-4-16(25-3)20-21-17/h4-5,13-15,19H,6-12H2,1-3H3
InChIKeyODNXJKXNBAMGKT-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.38
Rot. Bonds4

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

(6-methoxypyridazin-3-yl) 2-piperidin-4-yl-4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 71522736) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is (6-methoxypyridazin-3-yl) 2-piperidin-4-yl-4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name(6-methoxypyridazin-3-yl) 2-piperidin-4-yl-4-propan-2-ylpiperazine-1-carboxylate
PubChem CID71522736
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name(6-methoxypyridazin-3-yl) 2-piperidin-4-yl-4-propan-2-ylpiperazine-1-carboxylate
SMILESCOc1ccc(OC(=O)N2CCN(C(C)C)CC2C2CCNCC2)nn1
InChIInChI=1S/C18H29N5O3/c1-13(2)22-10-11-23(15(12-22)14-6-8-19-9-7-14)18(24)26-17-5-4-16(25-3)20-21-17/h4-5,13-15,19H,6-12H2,1-3H3
InChIKeyODNXJKXNBAMGKT-UHFFFAOYSA-N
XLogP1.38
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6-methoxypyridazin-3-yl) 2-piperidin-4-yl-4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of (6-methoxypyridazin-3-yl) 2-piperidin-4-yl-4-propan-2-ylpiperazine-1-carboxylate (CID 71522736) is (6-methoxypyridazin-3-yl) 2-piperidin-4-yl-4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for (6-methoxypyridazin-3-yl) 2-piperidin-4-yl-4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for (6-methoxypyridazin-3-yl) 2-piperidin-4-yl-4-propan-2-ylpiperazine-1-carboxylate is COc1ccc(OC(=O)N2CCN(C(C)C)CC2C2CCNCC2)nn1.
What is the InChIKey of (6-methoxypyridazin-3-yl) 2-piperidin-4-yl-4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is ODNXJKXNBAMGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-13(2)22-10-11-23(15(12-22)14-6-8-19-9-7-14)18(24)26-17-5-4-16(25-3)20-21-17/h4-5,13-15,19H,6-12H2,1-3H3.
What are the key properties of (6-methoxypyridazin-3-yl) 2-piperidin-4-yl-4-propan-2-ylpiperazine-1-carboxylate?
(6-methoxypyridazin-3-yl) 2-piperidin-4-yl-4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxypyridazin-3-yl) 2-piperidin-4-yl-4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 71522736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).