2-methyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one

C16H24N4O2 — CID 91917430

IUPAC2-methyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one
SMILESCn1ncc(N2CCCC(CC(=O)N3CCCC3)C2)cc1=O
InChIInChI=1S/C16H24N4O2/c1-18-15(21)10-14(11-17-18)20-8-4-5-13(12-20)9-16(22)19-6-2-3-7-19/h10-11,13H,2-9,12H2,1H3
InChIKeyGPTDKEIARSRTIE-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.01
Rot. Bonds3

About 2-methyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one

2-methyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one (PubChem CID 91917430) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-methyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one
PubChem CID91917430
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-methyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one
SMILESCn1ncc(N2CCCC(CC(=O)N3CCCC3)C2)cc1=O
InChIInChI=1S/C16H24N4O2/c1-18-15(21)10-14(11-17-18)20-8-4-5-13(12-20)9-16(22)19-6-2-3-7-19/h10-11,13H,2-9,12H2,1H3
InChIKeyGPTDKEIARSRTIE-UHFFFAOYSA-N
XLogP1.01
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylmethyl)-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one
CID 91917556
5-[3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperidin-1-yl]-2-(2-methoxyethyl)pyridazin-3-one
CID 91917486
N-benzyl-N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
CID 91917398
5-[4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 97206841
2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 91917388
N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 91907040
N-[(3-fluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
CID 91917412
2-methyl-5-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyridazin-3-one
CID 171992857
(3R)-N-(4-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 95115576
4-[3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 91906989
2-methyl-5-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]pyridazin-3-one
CID 97277077
2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-pyrrolidin-1-ylpropanamide
CID 70728096

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one (CID 91917430) is 2-methyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one is Cn1ncc(N2CCCC(CC(=O)N3CCCC3)C2)cc1=O.
What is the InChIKey of 2-methyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one?
The InChIKey is GPTDKEIARSRTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-18-15(21)10-14(11-17-18)20-8-4-5-13(12-20)9-16(22)19-6-2-3-7-19/h10-11,13H,2-9,12H2,1H3.
What are the key properties of 2-methyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one?
2-methyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one has a molecular weight of 304.39 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 91917430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).