propan-2-yl 4-[(6-piperidin-1-ylpyridazin-3-yl)oxymethyl]piperidine-1-carboxylate

C19H30N4O3 — CID 58430177

IUPACpropan-2-yl 4-[(6-piperidin-1-ylpyridazin-3-yl)oxymethyl]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(COc2ccc(N3CCCCC3)nn2)CC1
InChIInChI=1S/C19H30N4O3/c1-15(2)26-19(24)23-12-8-16(9-13-23)14-25-18-7-6-17(20-21-18)22-10-4-3-5-11-22/h6-7,15-16H,3-5,8-14H2,1-2H3
InChIKeyKARNZASEVFDAPU-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.10
Rot. Bonds5

About propan-2-yl 4-[(6-piperidin-1-ylpyridazin-3-yl)oxymethyl]piperidine-1-carboxylate

propan-2-yl 4-[(6-piperidin-1-ylpyridazin-3-yl)oxymethyl]piperidine-1-carboxylate (PubChem CID 58430177) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is propan-2-yl 4-[(6-piperidin-1-ylpyridazin-3-yl)oxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[(6-piperidin-1-ylpyridazin-3-yl)oxymethyl]piperidine-1-carboxylate
PubChem CID58430177
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Namepropan-2-yl 4-[(6-piperidin-1-ylpyridazin-3-yl)oxymethyl]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(COc2ccc(N3CCCCC3)nn2)CC1
InChIInChI=1S/C19H30N4O3/c1-15(2)26-19(24)23-12-8-16(9-13-23)14-25-18-7-6-17(20-21-18)22-10-4-3-5-11-22/h6-7,15-16H,3-5,8-14H2,1-2H3
InChIKeyKARNZASEVFDAPU-UHFFFAOYSA-N
XLogP3.10
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(6-piperidin-1-ylpyridazin-3-yl)oxymethyl]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[(6-piperidin-1-ylpyridazin-3-yl)oxymethyl]piperidine-1-carboxylate (CID 58430177) is propan-2-yl 4-[(6-piperidin-1-ylpyridazin-3-yl)oxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[(6-piperidin-1-ylpyridazin-3-yl)oxymethyl]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[(6-piperidin-1-ylpyridazin-3-yl)oxymethyl]piperidine-1-carboxylate is CC(C)OC(=O)N1CCC(COc2ccc(N3CCCCC3)nn2)CC1.
What is the InChIKey of propan-2-yl 4-[(6-piperidin-1-ylpyridazin-3-yl)oxymethyl]piperidine-1-carboxylate?
The InChIKey is KARNZASEVFDAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-15(2)26-19(24)23-12-8-16(9-13-23)14-25-18-7-6-17(20-21-18)22-10-4-3-5-11-22/h6-7,15-16H,3-5,8-14H2,1-2H3.
What are the key properties of propan-2-yl 4-[(6-piperidin-1-ylpyridazin-3-yl)oxymethyl]piperidine-1-carboxylate?
propan-2-yl 4-[(6-piperidin-1-ylpyridazin-3-yl)oxymethyl]piperidine-1-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(6-piperidin-1-ylpyridazin-3-yl)oxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 58430177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).