2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one

C16H26N4O — CID 97208022

IUPAC2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCN1CCCC[C@@H]1CCn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C16H26N4O/c1-18-8-3-2-6-14(18)7-11-20-16(21)12-15(13-17-20)19-9-4-5-10-19/h12-14H,2-11H2,1H3/t14-/m1/s1
InChIKeyFQVMPFYWBTYTDM-CQSZACIVSA-N
MW290.41 g/mol
LogP1.72
Rot. Bonds4

About 2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one

2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 97208022) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID97208022
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCN1CCCC[C@@H]1CCn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C16H26N4O/c1-18-8-3-2-6-14(18)7-11-20-16(21)12-15(13-17-20)19-9-4-5-10-19/h12-14H,2-11H2,1H3/t14-/m1/s1
InChIKeyFQVMPFYWBTYTDM-CQSZACIVSA-N
XLogP1.72
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(dimethylamino)-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]pyridazin-3-one
CID 97188705
5-(4-methyl-1-piperazinyl)-2-[3-oxo-3-(1-pyrrolidinyl)propyl]-3(2H)-pyridazinone
CID 28357548
2-[2-(1-azepanyl)ethyl]-5-(4-methyl-1-piperazinyl)-3(2H)-pyridazinone
CID 29180411
2-[3-oxo-3-(1-pyrrolidinyl)propyl]-5-(1-piperidinyl)-3(2H)-pyridazinone
CID 56908273
5-(dimethylamino)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3(2H)-one
CID 72844544
5-(dimethylamino)-2-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3(2H)-one
CID 72846983
2-[2-(4-cyclopentyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 72869617
2-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3(2H)-one
CID 72874747
2-[2-(1-methylpiperidin-2-yl)ethyl]-5-piperidin-1-ylpyridazin-3(2H)-one
CID 72916291
2-methyl-5-{4-[(2-methyl-5-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl}pyridazin-3(2H)-one
CID 72917197
2-[2-(1-methylpiperidin-2-yl)ethyl]-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 72929176
5-(dimethylamino)-2-(2-oxo-2-{2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl}ethyl)pyridazin-3(2H)-one
CID 72940523

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one (CID 97208022) is 2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one is CN1CCCC[C@@H]1CCn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of 2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is FQVMPFYWBTYTDM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N4O/c1-18-8-3-2-6-14(18)7-11-20-16(21)12-15(13-17-20)19-9-4-5-10-19/h12-14H,2-11H2,1H3/t14-/m1/s1.
What are the key properties of 2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 290.41 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 97208022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).