6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyridazin-7-one

C20H21N3O2S — CID 6620003

IUPAC6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyridazin-7-one
SMILESO=C(Cn1ncc2ccsc2c1=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H21N3O2S/c24-18(14-23-20(25)19-17(13-21-23)8-11-26-19)22-9-6-16(7-10-22)12-15-4-2-1-3-5-15/h1-5,8,11,13,16H,6-7,9-10,12,14H2
InChIKeyNBSFCTBWTHHEBJ-UHFFFAOYSA-N
MW367.47 g/mol
LogP2.94
Rot. Bonds4

About 6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyridazin-7-one

6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyridazin-7-one (PubChem CID 6620003) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyridazin-7-one.

Molecular Properties

Compound Name6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyridazin-7-one
PubChem CID6620003
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyridazin-7-one
SMILESO=C(Cn1ncc2ccsc2c1=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H21N3O2S/c24-18(14-23-20(25)19-17(13-21-23)8-11-26-19)22-9-6-16(7-10-22)12-15-4-2-1-3-5-15/h1-5,8,11,13,16H,6-7,9-10,12,14H2
InChIKeyNBSFCTBWTHHEBJ-UHFFFAOYSA-N
XLogP2.94
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyridazin-7-one with MolForge

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Related Compounds

2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 72892602
3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 2714517
2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)phthalazin-1-one
CID 2946263
1-(4-benzylpiperidin-1-yl)-2-imidazol-1-ylethanone
CID 110855809
6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846383
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-methylquinoxalin-2-one
CID 46295480
2-[2-[(4R)-4-ethylazepan-1-yl]-2-oxoethyl]phthalazin-1-one
CID 99481238
1-(4-benzylpiperidin-1-yl)-2-[3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylethanone
CID 23965134
1-(4-benzylpiperidin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 39081188
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one
CID 16847046
1-(4-benzylpiperidin-1-yl)-2-pyridin-2-ylsulfanylethanone
CID 78760913

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyridazin-7-one?
The IUPAC name of 6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyridazin-7-one (CID 6620003) is 6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyridazin-7-one.
What is the SMILES notation for 6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyridazin-7-one?
The canonical SMILES for 6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyridazin-7-one is O=C(Cn1ncc2ccsc2c1=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyridazin-7-one?
The InChIKey is NBSFCTBWTHHEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c24-18(14-23-20(25)19-17(13-21-23)8-11-26-19)22-9-6-16(7-10-22)12-15-4-2-1-3-5-15/h1-5,8,11,13,16H,6-7,9-10,12,14H2.
What are the key properties of 6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyridazin-7-one?
6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyridazin-7-one has a molecular weight of 367.47 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyridazin-7-one is sourced from PubChem (CID 6620003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).