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

C22H30N4O5 — CID 91917496

IUPACN-(2,5-dimethoxyphenyl)-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide
SMILESCOCCn1ncc(N2CCCC(CC(=O)Nc3cc(OC)ccc3OC)C2)cc1=O
InChIInChI=1S/C22H30N4O5/c1-29-10-9-26-22(28)12-17(14-23-26)25-8-4-5-16(15-25)11-21(27)24-19-13-18(30-2)6-7-20(19)31-3/h6-7,12-14,16H,4-5,8-11,15H2,1-3H3,(H,24,27)
InChIKeyHMMVDJLHIAQCIE-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.15
Rot. Bonds9

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

N-(2,5-dimethoxyphenyl)-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide (PubChem CID 91917496) has the molecular formula C22H30N4O5 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide
PubChem CID91917496
Molecular FormulaC22H30N4O5
Molecular Weight430.51 g/mol
Exact Mass430.22
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide
SMILESCOCCn1ncc(N2CCCC(CC(=O)Nc3cc(OC)ccc3OC)C2)cc1=O
InChIInChI=1S/C22H30N4O5/c1-29-10-9-26-22(28)12-17(14-23-26)25-8-4-5-16(15-25)11-21(27)24-19-13-18(30-2)6-7-20(19)31-3/h6-7,12-14,16H,4-5,8-11,15H2,1-3H3,(H,24,27)
InChIKeyHMMVDJLHIAQCIE-UHFFFAOYSA-N
XLogP2.15
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-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
N-(2,5-Dimethoxyphenyl)-2-(methoxymethyl)-6-oxopiperidine-3-carboxamide
CID 91911597
N-(2,5-Dimethoxyphenyl)-2-(methoxymethyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 91911601
N-(2-methoxy-5-methylphenyl)-1-(6-oxo-1-propyl-1,6-dihydropyridazin-4-yl)piperidine-4-carboxamide
CID 53202165
N-(2-methoxy-5-methylphenyl)-1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidine-3-carboxamide
CID 53203913
2-{1-[1-(Cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-3-YL}-N-(2-methoxyphenyl)acetamide
CID 91907111
2-{1-[1-(Cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-3-YL}-N-(2-ethoxyphenyl)acetamide
CID 91907119

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide (CID 91917496) is N-(2,5-dimethoxyphenyl)-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide is COCCn1ncc(N2CCCC(CC(=O)Nc3cc(OC)ccc3OC)C2)cc1=O.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide?
The InChIKey is HMMVDJLHIAQCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O5/c1-29-10-9-26-22(28)12-17(14-23-26)25-8-4-5-16(15-25)11-21(27)24-19-13-18(30-2)6-7-20(19)31-3/h6-7,12-14,16H,4-5,8-11,15H2,1-3H3,(H,24,27).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide has a molecular weight of 430.51 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide is sourced from PubChem (CID 91917496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).