6-tert-butyl-2-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one

C19H30N4O2 — CID 126862544

IUPAC6-tert-butyl-2-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CCN(CC3CNC(=O)C3)CC2)n1
InChIInChI=1S/C19H30N4O2/c1-19(2,3)16-4-5-18(25)23(21-16)13-14-6-8-22(9-7-14)12-15-10-17(24)20-11-15/h4-5,14-15H,6-13H2,1-3H3,(H,20,24)
InChIKeyKYOAUEGEUUZDSZ-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.39
Rot. Bonds4

About 6-tert-butyl-2-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one

6-tert-butyl-2-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126862544) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 6-tert-butyl-2-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126862544
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name6-tert-butyl-2-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CCN(CC3CNC(=O)C3)CC2)n1
InChIInChI=1S/C19H30N4O2/c1-19(2,3)16-4-5-18(25)23(21-16)13-14-6-8-22(9-7-14)12-15-10-17(24)20-11-15/h4-5,14-15H,6-13H2,1-3H3,(H,20,24)
InChIKeyKYOAUEGEUUZDSZ-UHFFFAOYSA-N
XLogP1.39
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-tert-butyl-2-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-tert-butyl-2-(cyclopropylmethyl)pyridazin-3-one
CID 126857323
6-tert-butyl-2-[[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862227
6-tert-butyl-2-[[1-[(1-cyclopropylimidazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126862498
6-tert-butyl-2-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862353
3-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile
CID 126862595
6-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 126862381
6-tert-butyl-2-[[1-(2-pyrrolidin-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927754
6-tert-butyl-2-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862284
3-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]azepan-2-one
CID 126927955
6-tert-butyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862625
6-tert-butyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927752
5-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 126862268

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one (CID 126862544) is 6-tert-butyl-2-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one is CC(C)(C)c1ccc(=O)n(CC2CCN(CC3CNC(=O)C3)CC2)n1.
What is the InChIKey of 6-tert-butyl-2-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is KYOAUEGEUUZDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-19(2,3)16-4-5-18(25)23(21-16)13-14-6-8-22(9-7-14)12-15-10-17(24)20-11-15/h4-5,14-15H,6-13H2,1-3H3,(H,20,24).
What are the key properties of 6-tert-butyl-2-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
6-tert-butyl-2-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 346.48 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126862544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).