2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one

C22H28N4O2 — CID 72892602

IUPAC2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=C(Cn1ncc(N2CCCC2)cc1=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H28N4O2/c27-21-15-20(24-10-4-5-11-24)16-23-26(21)17-22(28)25-12-8-19(9-13-25)14-18-6-2-1-3-7-18/h1-3,6-7,15-16,19H,4-5,8-14,17H2
InChIKeyJJAXDYSGRSQKDE-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.32
Rot. Bonds5

About 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one

2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 72892602) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID72892602
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=C(Cn1ncc(N2CCCC2)cc1=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H28N4O2/c27-21-15-20(24-10-4-5-11-24)16-23-26(21)17-22(28)25-12-8-19(9-13-25)14-18-6-2-1-3-7-18/h1-3,6-7,15-16,19H,4-5,8-14,17H2
InChIKeyJJAXDYSGRSQKDE-UHFFFAOYSA-N
XLogP2.32
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-oxo-2-[(4S)-4-phenylazepan-1-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 97280225
6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyridazin-7-one
CID 6620003
2-(2-cyclopropyl-2-oxoethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396025
5-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-benzylpyridazin-3-one
CID 53202307
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
4-[3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 91906989
2-benzyl-5-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
CID 95115909
1-(4-benzylpiperidin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 8004165
3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 2714517
[5-(4-benzylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226329
1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 653752
5-[4-(aminomethyl)piperidin-1-yl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one;2,2,2-trifluoroacetic acid
CID 171321331

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one (CID 72892602) is 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one is O=C(Cn1ncc(N2CCCC2)cc1=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is JJAXDYSGRSQKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-21-15-20(24-10-4-5-11-24)16-23-26(21)17-22(28)25-12-8-19(9-13-25)14-18-6-2-1-3-7-18/h1-3,6-7,15-16,19H,4-5,8-14,17H2.
What are the key properties of 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 380.49 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 72892602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).