N-[3-(difluoromethoxy)phenyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide

C18H20F2N4O2 — CID 121119033

IUPACN-[3-(difluoromethoxy)phenyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1ccc(N2CCC(C(=O)Nc3cccc(OC(F)F)c3)CC2)nn1
InChIInChI=1S/C18H20F2N4O2/c1-12-5-6-16(23-22-12)24-9-7-13(8-10-24)17(25)21-14-3-2-4-15(11-14)26-18(19)20/h2-6,11,13,18H,7-10H2,1H3,(H,21,25)
InChIKeyASIKCCAOZLORFC-UHFFFAOYSA-N
MW362.38 g/mol
LogP3.24
Rot. Bonds5

About N-[3-(difluoromethoxy)phenyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide

N-[3-(difluoromethoxy)phenyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 121119033) has the molecular formula C18H20F2N4O2 and a molecular weight of 362.38 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID121119033
Molecular FormulaC18H20F2N4O2
Molecular Weight362.38 g/mol
Exact Mass362.16
IUPAC NameN-[3-(difluoromethoxy)phenyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1ccc(N2CCC(C(=O)Nc3cccc(OC(F)F)c3)CC2)nn1
InChIInChI=1S/C18H20F2N4O2/c1-12-5-6-16(23-22-12)24-9-7-13(8-10-24)17(25)21-14-3-2-4-15(11-14)26-18(19)20/h2-6,11,13,18H,7-10H2,1H3,(H,21,25)
InChIKeyASIKCCAOZLORFC-UHFFFAOYSA-N
XLogP3.24
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(difluoromethoxy)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601542
N-(4-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118787
N-(3,4-dichlorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118877
N-(2,6-dimethylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118835
1-(6-methylpyridazin-3-yl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 121119048
N-(3-acetamidophenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30361652
3-[[3-(difluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103550191
N-(3-acetamidophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118445
N-(3-fluorophenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025334
1-(6-methoxypyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 71702503
N-(3-acetylphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30866725
1-(6-methylpyridazin-3-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 121118746

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide (CID 121119033) is N-[3-(difluoromethoxy)phenyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide is Cc1ccc(N2CCC(C(=O)Nc3cccc(OC(F)F)c3)CC2)nn1.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is ASIKCCAOZLORFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O2/c1-12-5-6-16(23-22-12)24-9-7-13(8-10-24)17(25)21-14-3-2-4-15(11-14)26-18(19)20/h2-6,11,13,18H,7-10H2,1H3,(H,21,25).
What are the key properties of N-[3-(difluoromethoxy)phenyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide?
N-[3-(difluoromethoxy)phenyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 362.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 121119033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).