N-[2-(2-methoxyphenyl)ethyl]-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide

C20H26N4O3 — CID 71701662

IUPACN-[2-(2-methoxyphenyl)ethyl]-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide
SMILESCOc1ccc(N2CCC(C(=O)NCCc3ccccc3OC)CC2)nn1
InChIInChI=1S/C20H26N4O3/c1-26-17-6-4-3-5-15(17)9-12-21-20(25)16-10-13-24(14-11-16)18-7-8-19(27-2)23-22-18/h3-8,16H,9-14H2,1-2H3,(H,21,25)
InChIKeyZSMGSFIZWYCNBC-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.07
Rot. Bonds7

About N-[2-(2-methoxyphenyl)ethyl]-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide

N-[2-(2-methoxyphenyl)ethyl]-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 71701662) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide
PubChem CID71701662
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide
SMILESCOc1ccc(N2CCC(C(=O)NCCc3ccccc3OC)CC2)nn1
InChIInChI=1S/C20H26N4O3/c1-26-17-6-4-3-5-15(17)9-12-21-20(25)16-10-13-24(14-11-16)18-7-8-19(27-2)23-22-18/h3-8,16H,9-14H2,1-2H3,(H,21,25)
InChIKeyZSMGSFIZWYCNBC-UHFFFAOYSA-N
XLogP2.07
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118870
(3S)-1-(6-chloropyridazin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 94161671
N-[(2-methoxyphenyl)methyl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 71706569
1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 134046460
N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 113411784
1-(2-methoxyethylsulfonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110335435
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 90611479
N-[4-[2-(2-methoxyphenyl)ethylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 39930096
N-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27757040
N-[(4-fluorophenyl)methyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363214
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 30137323
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771293

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide (CID 71701662) is N-[2-(2-methoxyphenyl)ethyl]-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide is COc1ccc(N2CCC(C(=O)NCCc3ccccc3OC)CC2)nn1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is ZSMGSFIZWYCNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-26-17-6-4-3-5-15(17)9-12-21-20(25)16-10-13-24(14-11-16)18-7-8-19(27-2)23-22-18/h3-8,16H,9-14H2,1-2H3,(H,21,25).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 71701662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).