N-(3-chlorophenyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide

C18H21ClN4O2 — CID 91907020

IUPACN-(3-chlorophenyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
SMILESCn1ncc(N2CCCC(CC(=O)Nc3cccc(Cl)c3)C2)cc1=O
InChIInChI=1S/C18H21ClN4O2/c1-22-18(25)10-16(11-20-22)23-7-3-4-13(12-23)8-17(24)21-15-6-2-5-14(19)9-15/h2,5-6,9-11,13H,3-4,7-8,12H2,1H3,(H,21,24)
InChIKeyNKIYXFPUTKISNH-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.68
Rot. Bonds4

About N-(3-chlorophenyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide

N-(3-chlorophenyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide (PubChem CID 91907020) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
PubChem CID91907020
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC NameN-(3-chlorophenyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
SMILESCn1ncc(N2CCCC(CC(=O)Nc3cccc(Cl)c3)C2)cc1=O
InChIInChI=1S/C18H21ClN4O2/c1-22-18(25)10-16(11-20-22)23-7-3-4-13(12-23)8-17(24)21-15-6-2-5-14(19)9-15/h2,5-6,9-11,13H,3-4,7-8,12H2,1H3,(H,21,24)
InChIKeyNKIYXFPUTKISNH-UHFFFAOYSA-N
XLogP2.68
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide (CID 91907020) is N-(3-chlorophenyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide is Cn1ncc(N2CCCC(CC(=O)Nc3cccc(Cl)c3)C2)cc1=O.
What is the InChIKey of N-(3-chlorophenyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
The InChIKey is NKIYXFPUTKISNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-22-18(25)10-16(11-20-22)23-7-3-4-13(12-23)8-17(24)21-15-6-2-5-14(19)9-15/h2,5-6,9-11,13H,3-4,7-8,12H2,1H3,(H,21,24).
What are the key properties of N-(3-chlorophenyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
N-(3-chlorophenyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide has a molecular weight of 360.85 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 91907020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).