4-chloro-5-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpyridazin-3-one

C18H22ClN3O3 — CID 138038465

IUPAC4-chloro-5-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpyridazin-3-one
SMILESCOc1ccccc1COC1CCN(c2cnn(C)c(=O)c2Cl)CC1
InChIInChI=1S/C18H22ClN3O3/c1-21-18(23)17(19)15(11-20-21)22-9-7-14(8-10-22)25-12-13-5-3-4-6-16(13)24-2/h3-6,11,14H,7-10,12H2,1-2H3
InChIKeyNZRYJZIXZHXDAH-UHFFFAOYSA-N
MW363.85 g/mol
LogP2.63
Rot. Bonds5

About 4-chloro-5-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpyridazin-3-one

4-chloro-5-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpyridazin-3-one (PubChem CID 138038465) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is 4-chloro-5-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpyridazin-3-one
PubChem CID138038465
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name4-chloro-5-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpyridazin-3-one
SMILESCOc1ccccc1COC1CCN(c2cnn(C)c(=O)c2Cl)CC1
InChIInChI=1S/C18H22ClN3O3/c1-21-18(23)17(19)15(11-20-21)22-9-7-14(8-10-22)25-12-13-5-3-4-6-16(13)24-2/h3-6,11,14H,7-10,12H2,1-2H3
InChIKeyNZRYJZIXZHXDAH-UHFFFAOYSA-N
XLogP2.63
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpyridazin-3-one (CID 138038465) is 4-chloro-5-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpyridazin-3-one is COc1ccccc1COC1CCN(c2cnn(C)c(=O)c2Cl)CC1.
What is the InChIKey of 4-chloro-5-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is NZRYJZIXZHXDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-21-18(23)17(19)15(11-20-21)22-9-7-14(8-10-22)25-12-13-5-3-4-6-16(13)24-2/h3-6,11,14H,7-10,12H2,1-2H3.
What are the key properties of 4-chloro-5-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpyridazin-3-one?
4-chloro-5-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 363.85 g/mol, XLogP of 2.63, 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-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 138038465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).