6-[4-[(1-cyclopentylpiperidin-4-yl)methoxy]phenyl]-2-methylpyridazin-3-one

C22H29N3O2 — CID 59651975

IUPAC6-[4-[(1-cyclopentylpiperidin-4-yl)methoxy]phenyl]-2-methylpyridazin-3-one
SMILESCn1nc(-c2ccc(OCC3CCN(C4CCCC4)CC3)cc2)ccc1=O
InChIInChI=1S/C22H29N3O2/c1-24-22(26)11-10-21(23-24)18-6-8-20(9-7-18)27-16-17-12-14-25(15-13-17)19-4-2-3-5-19/h6-11,17,19H,2-5,12-16H2,1H3
InChIKeyDRBJYCDVUQICPQ-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.48
Rot. Bonds5

About 6-[4-[(1-cyclopentylpiperidin-4-yl)methoxy]phenyl]-2-methylpyridazin-3-one

6-[4-[(1-cyclopentylpiperidin-4-yl)methoxy]phenyl]-2-methylpyridazin-3-one (PubChem CID 59651975) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 6-[4-[(1-cyclopentylpiperidin-4-yl)methoxy]phenyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-[(1-cyclopentylpiperidin-4-yl)methoxy]phenyl]-2-methylpyridazin-3-one
PubChem CID59651975
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name6-[4-[(1-cyclopentylpiperidin-4-yl)methoxy]phenyl]-2-methylpyridazin-3-one
SMILESCn1nc(-c2ccc(OCC3CCN(C4CCCC4)CC3)cc2)ccc1=O
InChIInChI=1S/C22H29N3O2/c1-24-22(26)11-10-21(23-24)18-6-8-20(9-7-18)27-16-17-12-14-25(15-13-17)19-4-2-3-5-19/h6-11,17,19H,2-5,12-16H2,1H3
InChIKeyDRBJYCDVUQICPQ-UHFFFAOYSA-N
XLogP3.48
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(1-cyclopentylpiperidin-4-yl)methoxy]phenyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[4-[(1-cyclopentylpiperidin-4-yl)methoxy]phenyl]-2-methylpyridazin-3-one (CID 59651975) is 6-[4-[(1-cyclopentylpiperidin-4-yl)methoxy]phenyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[4-[(1-cyclopentylpiperidin-4-yl)methoxy]phenyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[4-[(1-cyclopentylpiperidin-4-yl)methoxy]phenyl]-2-methylpyridazin-3-one is Cn1nc(-c2ccc(OCC3CCN(C4CCCC4)CC3)cc2)ccc1=O.
What is the InChIKey of 6-[4-[(1-cyclopentylpiperidin-4-yl)methoxy]phenyl]-2-methylpyridazin-3-one?
The InChIKey is DRBJYCDVUQICPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-24-22(26)11-10-21(23-24)18-6-8-20(9-7-18)27-16-17-12-14-25(15-13-17)19-4-2-3-5-19/h6-11,17,19H,2-5,12-16H2,1H3.
What are the key properties of 6-[4-[(1-cyclopentylpiperidin-4-yl)methoxy]phenyl]-2-methylpyridazin-3-one?
6-[4-[(1-cyclopentylpiperidin-4-yl)methoxy]phenyl]-2-methylpyridazin-3-one has a molecular weight of 367.49 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(1-cyclopentylpiperidin-4-yl)methoxy]phenyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 59651975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).