(3R)-1-(6-methoxypyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide

C20H26N4O5 — CID 97264345

IUPAC(3R)-1-(6-methoxypyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(N2CCC[C@@H](C(=O)Nc3cc(OC)c(OC)c(OC)c3)C2)nn1
InChIInChI=1S/C20H26N4O5/c1-26-15-10-14(11-16(27-2)19(15)29-4)21-20(25)13-6-5-9-24(12-13)17-7-8-18(28-3)23-22-17/h7-8,10-11,13H,5-6,9,12H2,1-4H3,(H,21,25)/t13-/m1/s1
InChIKeyMECMOEUECSPMTR-CYBMUJFWSA-N
MW402.45 g/mol
LogP2.37
Rot. Bonds7

About (3R)-1-(6-methoxypyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide

(3R)-1-(6-methoxypyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide (PubChem CID 97264345) has the molecular formula C20H26N4O5 and a molecular weight of 402.45 g/mol. Its IUPAC name is (3R)-1-(6-methoxypyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(6-methoxypyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
PubChem CID97264345
Molecular FormulaC20H26N4O5
Molecular Weight402.45 g/mol
Exact Mass402.19
IUPAC Name(3R)-1-(6-methoxypyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(N2CCC[C@@H](C(=O)Nc3cc(OC)c(OC)c(OC)c3)C2)nn1
InChIInChI=1S/C20H26N4O5/c1-26-15-10-14(11-16(27-2)19(15)29-4)21-20(25)13-6-5-9-24(12-13)17-7-8-18(28-3)23-22-17/h7-8,10-11,13H,5-6,9,12H2,1-4H3,(H,21,25)/t13-/m1/s1
InChIKeyMECMOEUECSPMTR-CYBMUJFWSA-N
XLogP2.37
TPSA95.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3R)-1-(6-methoxypyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-(6-chloropyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 94161179
1-pyrazin-2-yl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 46573508
N-(4-carbamoylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 71709561
N-(3,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514398
N-[(2-methoxyphenyl)methyl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 71706569
N-(3,4-dimethoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025140
N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide
CID 7741672
(3R)-N-(3-methoxypropyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 97265102
6-piperidin-1-yl-N-(3,4,5-trimethoxyphenyl)pyridazine-3-carboxamide
CID 109112601
N-(3,5-dichlorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118510
N-(2,5-dimethoxyphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118430
1-(3-phenylsulfanylpyrazin-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 46392345

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-methoxypyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(6-methoxypyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide (CID 97264345) is (3R)-1-(6-methoxypyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(6-methoxypyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(6-methoxypyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide is COc1ccc(N2CCC[C@@H](C(=O)Nc3cc(OC)c(OC)c(OC)c3)C2)nn1.
What is the InChIKey of (3R)-1-(6-methoxypyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide?
The InChIKey is MECMOEUECSPMTR-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H26N4O5/c1-26-15-10-14(11-16(27-2)19(15)29-4)21-20(25)13-6-5-9-24(12-13)17-7-8-18(28-3)23-22-17/h7-8,10-11,13H,5-6,9,12H2,1-4H3,(H,21,25)/t13-/m1/s1.
What are the key properties of (3R)-1-(6-methoxypyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide?
(3R)-1-(6-methoxypyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-methoxypyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 97264345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).