2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-piperidin-1-ylpyridazin-3-one

C16H24N4O2 — CID 56908273

IUPAC2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-piperidin-1-ylpyridazin-3-one
SMILESO=C(CCn1ncc(N2CCCCC2)cc1=O)N1CCCC1
InChIInChI=1S/C16H24N4O2/c21-15(19-9-4-5-10-19)6-11-20-16(22)12-14(13-17-20)18-7-2-1-3-8-18/h12-13H,1-11H2
InChIKeyNXXSLTQSYLXEPU-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.25
Rot. Bonds4

About 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-piperidin-1-ylpyridazin-3-one

2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-piperidin-1-ylpyridazin-3-one (PubChem CID 56908273) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-piperidin-1-ylpyridazin-3-one
PubChem CID56908273
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-piperidin-1-ylpyridazin-3-one
SMILESO=C(CCn1ncc(N2CCCCC2)cc1=O)N1CCCC1
InChIInChI=1S/C16H24N4O2/c21-15(19-9-4-5-10-19)6-11-20-16(22)12-14(13-17-20)18-7-2-1-3-8-18/h12-13H,1-11H2
InChIKeyNXXSLTQSYLXEPU-UHFFFAOYSA-N
XLogP1.25
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-3-(1-pyrrolidinyl)propanamide
CID 70759750
2-propyl-5-[4-(pyrrolidin-1-ylcarbonyl)piperidin-1-yl]pyridazin-3(2H)-one
CID 53202211
2-Methyl-5-[3-(pyrrolidine-1-carbonyl)piperidin-1-YL]-2,3-dihydropyridazin-3-one
CID 53203983
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-3-(2-oxo-1-piperidinyl)propanamide
CID 70739487
2-Methyl-5-[3-(piperidine-1-carbonyl)pyrrolidin-1-YL]-2,3-dihydropyridazin-3-one
CID 110196821
5-(4-methyl-1-piperazinyl)-2-[3-oxo-3-(1-pyrrolidinyl)propyl]-3(2H)-pyridazinone
CID 28357548
4-[6-oxo-4-(1-piperidinyl)-1(6H)-pyridazinyl]butanamide
CID 56894429
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-3-(1-piperidinyl)propanamide
CID 70742178
1-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide
CID 70748999
5-(dimethylamino)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3(2H)-one
CID 72844544
2-[2-(4-cyclopentyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 72869617
N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1(6H)-yl)acetamide
CID 72902382

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-piperidin-1-ylpyridazin-3-one (CID 56908273) is 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-piperidin-1-ylpyridazin-3-one is O=C(CCn1ncc(N2CCCCC2)cc1=O)N1CCCC1.
What is the InChIKey of 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is NXXSLTQSYLXEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-15(19-9-4-5-10-19)6-11-20-16(22)12-14(13-17-20)18-7-2-1-3-8-18/h12-13H,1-11H2.
What are the key properties of 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-piperidin-1-ylpyridazin-3-one?
2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 304.39 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 56908273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).