4-chloro-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-2-phenylpyridazin-3-one

C20H24ClN3O3 — CID 133453106

IUPAC4-chloro-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(N2CCC(OCC3CCOC3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C20H24ClN3O3/c21-19-18(12-22-24(20(19)25)16-4-2-1-3-5-16)23-9-6-17(7-10-23)27-14-15-8-11-26-13-15/h1-5,12,15,17H,6-11,13-14H2
InChIKeySKZMBHBZSWBIOJ-UHFFFAOYSA-N
MW389.88 g/mol
LogP2.91
Rot. Bonds5

About 4-chloro-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-2-phenylpyridazin-3-one

4-chloro-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-2-phenylpyridazin-3-one (PubChem CID 133453106) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 4-chloro-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-2-phenylpyridazin-3-one
PubChem CID133453106
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name4-chloro-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(N2CCC(OCC3CCOC3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C20H24ClN3O3/c21-19-18(12-22-24(20(19)25)16-4-2-1-3-5-16)23-9-6-17(7-10-23)27-14-15-8-11-26-13-15/h1-5,12,15,17H,6-11,13-14H2
InChIKeySKZMBHBZSWBIOJ-UHFFFAOYSA-N
XLogP2.91
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-5-(4-ethoxypiperidin-1-yl)-2-phenylpyridazin-3-one
CID 133271354
4-chloro-2-phenyl-5-(3-prop-2-enoxypyrrolidin-1-yl)pyridazin-3-one
CID 133465286
4-chloro-2-phenyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one
CID 133317828
4-chloro-5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-2-phenylpyridazin-3-one
CID 133338550
4-chloro-2-phenyl-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one
CID 133306124
ethyl 1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperidine-4-carboxylate
CID 9280161
5-[4-(azepane-1-carbonyl)piperidin-1-yl]-4-chloro-2-phenylpyridazin-3-one
CID 9206668
4-chloro-5-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenylpyridazin-3-one
CID 46529673
4-[1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444206
4-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 31921656
1-(2-chloro-4-nitrophenyl)-4-(oxolan-3-ylmethoxy)piperidine
CID 133453040
2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-ium-1-yl]acetamide
CID 9445658

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-2-phenylpyridazin-3-one (CID 133453106) is 4-chloro-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-2-phenylpyridazin-3-one is O=c1c(Cl)c(N2CCC(OCC3CCOC3)CC2)cnn1-c1ccccc1.
What is the InChIKey of 4-chloro-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-2-phenylpyridazin-3-one?
The InChIKey is SKZMBHBZSWBIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c21-19-18(12-22-24(20(19)25)16-4-2-1-3-5-16)23-9-6-17(7-10-23)27-14-15-8-11-26-13-15/h1-5,12,15,17H,6-11,13-14H2.
What are the key properties of 4-chloro-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-2-phenylpyridazin-3-one?
4-chloro-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-2-phenylpyridazin-3-one has a molecular weight of 389.88 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 133453106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).