6-tert-butyl-2-[(1-cyclopentylpiperidin-4-yl)methyl]pyridazin-3-one

C19H31N3O — CID 126862327

IUPAC6-tert-butyl-2-[(1-cyclopentylpiperidin-4-yl)methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CCN(C3CCCC3)CC2)n1
InChIInChI=1S/C19H31N3O/c1-19(2,3)17-8-9-18(23)22(20-17)14-15-10-12-21(13-11-15)16-6-4-5-7-16/h8-9,15-16H,4-7,10-14H2,1-3H3
InChIKeyRPZVPQASRHYKTO-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.20
Rot. Bonds3

About 6-tert-butyl-2-[(1-cyclopentylpiperidin-4-yl)methyl]pyridazin-3-one

6-tert-butyl-2-[(1-cyclopentylpiperidin-4-yl)methyl]pyridazin-3-one (PubChem CID 126862327) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 6-tert-butyl-2-[(1-cyclopentylpiperidin-4-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[(1-cyclopentylpiperidin-4-yl)methyl]pyridazin-3-one
PubChem CID126862327
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name6-tert-butyl-2-[(1-cyclopentylpiperidin-4-yl)methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CCN(C3CCCC3)CC2)n1
InChIInChI=1S/C19H31N3O/c1-19(2,3)17-8-9-18(23)22(20-17)14-15-10-12-21(13-11-15)16-6-4-5-7-16/h8-9,15-16H,4-7,10-14H2,1-3H3
InChIKeyRPZVPQASRHYKTO-UHFFFAOYSA-N
XLogP3.20
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[(1-cyclopentylpiperidin-4-yl)methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[(1-cyclopentylpiperidin-4-yl)methyl]pyridazin-3-one (CID 126862327) is 6-tert-butyl-2-[(1-cyclopentylpiperidin-4-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[(1-cyclopentylpiperidin-4-yl)methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[(1-cyclopentylpiperidin-4-yl)methyl]pyridazin-3-one is CC(C)(C)c1ccc(=O)n(CC2CCN(C3CCCC3)CC2)n1.
What is the InChIKey of 6-tert-butyl-2-[(1-cyclopentylpiperidin-4-yl)methyl]pyridazin-3-one?
The InChIKey is RPZVPQASRHYKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-19(2,3)17-8-9-18(23)22(20-17)14-15-10-12-21(13-11-15)16-6-4-5-7-16/h8-9,15-16H,4-7,10-14H2,1-3H3.
What are the key properties of 6-tert-butyl-2-[(1-cyclopentylpiperidin-4-yl)methyl]pyridazin-3-one?
6-tert-butyl-2-[(1-cyclopentylpiperidin-4-yl)methyl]pyridazin-3-one has a molecular weight of 317.48 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[(1-cyclopentylpiperidin-4-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 126862327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).