4-amino-2-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one

C23H26N4O2S — CID 51496275

IUPAC4-amino-2-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one
SMILESC[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)n1nc(-c2cccs2)cc(N)c1=O
InChIInChI=1S/C23H26N4O2S/c1-16(27-23(29)19(24)15-20(25-27)21-8-5-13-30-21)22(28)26-11-9-18(10-12-26)14-17-6-3-2-4-7-17/h2-8,13,15-16,18H,9-12,14,24H2,1H3/t16-/m0/s1
InChIKeyIGYKOWSNVVTVRT-INIZCTEOSA-N
MW422.55 g/mol
LogP3.60
Rot. Bonds5

About 4-amino-2-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one

4-amino-2-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one (PubChem CID 51496275) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 4-amino-2-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-amino-2-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one
PubChem CID51496275
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name4-amino-2-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one
SMILESC[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)n1nc(-c2cccs2)cc(N)c1=O
InChIInChI=1S/C23H26N4O2S/c1-16(27-23(29)19(24)15-20(25-27)21-8-5-13-30-21)22(28)26-11-9-18(10-12-26)14-17-6-3-2-4-7-17/h2-8,13,15-16,18H,9-12,14,24H2,1H3/t16-/m0/s1
InChIKeyIGYKOWSNVVTVRT-INIZCTEOSA-N
XLogP3.60
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-amino-2-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

(4-benzylpiperidin-1-yl)-[1-(4-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone
CID 4587521
3-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4-one
CID 4907767
1-[2-(4-benzylpiperidin-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 119349611
1-(azepan-1-yl)-2-(4-benzylpiperidin-1-yl)propan-1-one
CID 13345092
(2S)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 51496256
(3R)-1-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide
CID 100840635
2-amino-1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119262390
(2R)-1-(4-benzylpiperidin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 9445663
2-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one
CID 121076479
4-[2-(4-benzylpiperidin-1-yl)propanoyl]-1,4-diazepane-1-carboxamide
CID 136524901
4-amino-2-(2-methylpropyl)-6-thiophen-2-ylpyridazin-3-one
CID 82467637
(4-benzylpiperidin-1-yl)-(6-fluoro-2-thiophen-2-ylquinolin-4-yl)methanone
CID 42750188

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 4-amino-2-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one (CID 51496275) is 4-amino-2-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 4-amino-2-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 4-amino-2-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one is C[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)n1nc(-c2cccs2)cc(N)c1=O.
What is the InChIKey of 4-amino-2-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is IGYKOWSNVVTVRT-INIZCTEOSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-16(27-23(29)19(24)15-20(25-27)21-8-5-13-30-21)22(28)26-11-9-18(10-12-26)14-17-6-3-2-4-7-17/h2-8,13,15-16,18H,9-12,14,24H2,1H3/t16-/m0/s1.
What are the key properties of 4-amino-2-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one?
4-amino-2-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 422.55 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 51496275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).