2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one

C16H24N4O3 — CID 72869235

IUPAC2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one
SMILESCOC1CCN(C(=O)Cn2ncc(N3CCCCC3)cc2=O)C1
InChIInChI=1S/C16H24N4O3/c1-23-14-5-8-19(11-14)16(22)12-20-15(21)9-13(10-17-20)18-6-3-2-4-7-18/h9-10,14H,2-8,11-12H2,1H3
InChIKeyBTLAGTREDOIJFU-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.48
Rot. Bonds4

About 2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one

2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one (PubChem CID 72869235) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one
PubChem CID72869235
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one
SMILESCOC1CCN(C(=O)Cn2ncc(N3CCCCC3)cc2=O)C1
InChIInChI=1S/C16H24N4O3/c1-23-14-5-8-19(11-14)16(22)12-20-15(21)9-13(10-17-20)18-6-3-2-4-7-18/h9-10,14H,2-8,11-12H2,1H3
InChIKeyBTLAGTREDOIJFU-UHFFFAOYSA-N
XLogP0.48
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]-5-piperidin-1-ylpyridazin-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

2-[4-[2-(2-aminoethyl)-4-morpholinyl]-6-oxo-1(6H)-pyridazinyl]-N-ethyl-N-methylacetamide
CID 56892429
2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 97277531
2-methyl-5-{4-[(2-oxo-1,3-oxazolidin-3-yl)acetyl]-1-piperazinyl}-3(2H)-pyridazinone
CID 29088368
5-(Dimethylamino)-2-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 45195111
2-[4-(dimethylamino)-6-oxo-1(6H)-pyridazinyl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide
CID 45212637
2-azepan-1-yl-N-{2-[4-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)morpholin-2-yl]ethyl}acetamide
CID 45238799
2-{2-[3-(4-morpholinyl)-1-azetidinyl]-2-oxoethyl}-5-(1-pyrrolidinyl)-3(2H)-pyridazinone
CID 28346234
N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-[6-oxo-4-(1-piperidinyl)-1(6H)-pyridazinyl]acetamide
CID 28464385
2-(azepan-1-yl)-N-[2-[(2S)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]acetamide
CID 31161010
2-(azepan-1-yl)-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]acetamide
CID 31161014
5-(4-methyl-1-piperazinyl)-2-(tetrahydro-2-furanylmethyl)-3(2H)-pyridazinone
CID 45932616
2-[2-(2-methyl-1,4-oxazepan-4-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 72841831

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one (CID 72869235) is 2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one is COC1CCN(C(=O)Cn2ncc(N3CCCCC3)cc2=O)C1.
What is the InChIKey of 2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is BTLAGTREDOIJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-23-14-5-8-19(11-14)16(22)12-20-15(21)9-13(10-17-20)18-6-3-2-4-7-18/h9-10,14H,2-8,11-12H2,1H3.
What are the key properties of 2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one?
2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 320.39 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 72869235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).