2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide

C25H34N4O2 — CID 95853180

IUPAC2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide
SMILESCc1ccc(C2(CN3CCC(NC(=O)Cn4nc(C)ccc4=O)CC3)CCCC2)cc1
InChIInChI=1S/C25H34N4O2/c1-19-5-8-21(9-6-19)25(13-3-4-14-25)18-28-15-11-22(12-16-28)26-23(30)17-29-24(31)10-7-20(2)27-29/h5-10,22H,3-4,11-18H2,1-2H3,(H,26,30)
InChIKeyLZUHGFXOWWDBOY-UHFFFAOYSA-N
MW422.57 g/mol
LogP2.95
Rot. Bonds6

About 2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide

2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide (PubChem CID 95853180) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide
PubChem CID95853180
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide
SMILESCc1ccc(C2(CN3CCC(NC(=O)Cn4nc(C)ccc4=O)CC3)CCCC2)cc1
InChIInChI=1S/C25H34N4O2/c1-19-5-8-21(9-6-19)25(13-3-4-14-25)18-28-15-11-22(12-16-28)26-23(30)17-29-24(31)10-7-20(2)27-29/h5-10,22H,3-4,11-18H2,1-2H3,(H,26,30)
InChIKeyLZUHGFXOWWDBOY-UHFFFAOYSA-N
XLogP2.95
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide (CID 95853180) is 2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide is Cc1ccc(C2(CN3CCC(NC(=O)Cn4nc(C)ccc4=O)CC3)CCCC2)cc1.
What is the InChIKey of 2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide?
The InChIKey is LZUHGFXOWWDBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-19-5-8-21(9-6-19)25(13-3-4-14-25)18-28-15-11-22(12-16-28)26-23(30)17-29-24(31)10-7-20(2)27-29/h5-10,22H,3-4,11-18H2,1-2H3,(H,26,30).
What are the key properties of 2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide?
2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide has a molecular weight of 422.57 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 95853180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).