N-(2,5-dimethoxyphenyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide

C20H26N4O4 — CID 91917404

IUPACN-(2,5-dimethoxyphenyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CC2CCCN(c3cnn(C)c(=O)c3)C2)c1
InChIInChI=1S/C20H26N4O4/c1-23-20(26)10-15(12-21-23)24-8-4-5-14(13-24)9-19(25)22-17-11-16(27-2)6-7-18(17)28-3/h6-7,10-12,14H,4-5,8-9,13H2,1-3H3,(H,22,25)
InChIKeyFGVFPXMHCLIRMF-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.04
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide

N-(2,5-dimethoxyphenyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide (PubChem CID 91917404) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
PubChem CID91917404
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CC2CCCN(c3cnn(C)c(=O)c3)C2)c1
InChIInChI=1S/C20H26N4O4/c1-23-20(26)10-15(12-21-23)24-8-4-5-14(13-24)9-19(25)22-17-11-16(27-2)6-7-18(17)28-3/h6-7,10-12,14H,4-5,8-9,13H2,1-3H3,(H,22,25)
InChIKeyFGVFPXMHCLIRMF-UHFFFAOYSA-N
XLogP2.04
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-Diethoxyphenyl)-1-{7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL}piperidine-4-carboxamide
CID 3236007
N-(2,5-Dimethoxyphenyl)-4-({[2-(4-methyl-1-piperidinyl)-3,4-dioxo-1-cyclobuten-1-YL]amino}methyl)cyclohexanecarboxamide
CID 5309259
N-(2,5-Dimethoxy-phenyl)-3-(3,5-dimethyl-piperidin-1-yl)-propionamide
CID 23724448
N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide
CID 2912059
N-(2,5-dimethoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamide
CID 15988531
N-(2,5-Dimethoxy-phenyl)-3-(3-methyl-piperidin-1-yl)-propionamide
CID 2900388
N-(2,5-Dimethoxy-phenyl)-3-(4-methyl-piperidin-1-yl)-propionamide
CID 2901339
N-(2,5-Dimethoxyphenyl)-2-(1-oxo-4-phenyl-1,2,5,6,7,8-hexahydrophthalazin-2-YL)butanamide
CID 16014475
N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 649004
N-(3,5-Dimethoxyphenyl)-2-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]acetamide
CID 91907053
N-(2,5-dimethoxyphenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 651928
N-(2,5-dimethoxyphenyl)-4-{[(2-morpholin-4-yl-3,4-dioxocyclobut-1-en-1-yl)amino]methyl}cyclohexanecarboxamide
CID 16193759

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide (CID 91917404) is N-(2,5-dimethoxyphenyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide is COc1ccc(OC)c(NC(=O)CC2CCCN(c3cnn(C)c(=O)c3)C2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
The InChIKey is FGVFPXMHCLIRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-23-20(26)10-15(12-21-23)24-8-4-5-14(13-24)9-19(25)22-17-11-16(27-2)6-7-18(17)28-3/h6-7,10-12,14H,4-5,8-9,13H2,1-3H3,(H,22,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide has a molecular weight of 386.45 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 91917404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).