N-[(3,4-dimethoxyphenyl)methyl]-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide

C20H26N4O4 — CID 90559688

IUPACN-[(3,4-dimethoxyphenyl)methyl]-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCC(Oc3ccc(C)nn3)CC2)cc1OC
InChIInChI=1S/C20H26N4O4/c1-14-4-7-19(23-22-14)28-16-8-10-24(11-9-16)20(25)21-13-15-5-6-17(26-2)18(12-15)27-3/h4-7,12,16H,8-11,13H2,1-3H3,(H,21,25)
InChIKeyKRHNRWZIQIFZPK-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.56
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide (PubChem CID 90559688) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide
PubChem CID90559688
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCC(Oc3ccc(C)nn3)CC2)cc1OC
InChIInChI=1S/C20H26N4O4/c1-14-4-7-19(23-22-14)28-16-8-10-24(11-9-16)20(25)21-13-15-5-6-17(26-2)18(12-15)27-3/h4-7,12,16H,8-11,13H2,1-3H3,(H,21,25)
InChIKeyKRHNRWZIQIFZPK-UHFFFAOYSA-N
XLogP2.56
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 100633542
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638467
N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 38151892
N-[(3,4-dimethoxyphenyl)methyl]-3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122260530
N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 108896757
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethoxypiperidine-1-carboxamide
CID 51124414
N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 95483224
N-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboxamide
CID 60570389
N-(3-methoxyphenyl)-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide
CID 90559675
N-(2-chloroethyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90638896
N-(2-methoxyphenyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90638861
N-[(3,4-dimethoxyphenyl)methyl]-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 121160487

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide (CID 90559688) is N-[(3,4-dimethoxyphenyl)methyl]-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide is COc1ccc(CNC(=O)N2CCC(Oc3ccc(C)nn3)CC2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide?
The InChIKey is KRHNRWZIQIFZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-14-4-7-19(23-22-14)28-16-8-10-24(11-9-16)20(25)21-13-15-5-6-17(26-2)18(12-15)27-3/h4-7,12,16H,8-11,13H2,1-3H3,(H,21,25).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide is sourced from PubChem (CID 90559688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).