1-(6-chloropyridazin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]piperidine-4-carboxamide

C18H21ClN4O2 — CID 117087106

IUPAC1-(6-chloropyridazin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)C1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C18H21ClN4O2/c19-16-5-6-17(22-21-16)23-11-8-14(9-12-23)18(25)20-10-7-13-1-3-15(24)4-2-13/h1-6,14,24H,7-12H2,(H,20,25)
InChIKeyGFUKRRUXKNKYMV-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.41
Rot. Bonds5

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

1-(6-chloropyridazin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 117087106) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]piperidine-4-carboxamide
PubChem CID117087106
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name1-(6-chloropyridazin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)C1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C18H21ClN4O2/c19-16-5-6-17(22-21-16)23-11-8-14(9-12-23)18(25)20-10-7-13-1-3-15(24)4-2-13/h1-6,14,24H,7-12H2,(H,20,25)
InChIKeyGFUKRRUXKNKYMV-UHFFFAOYSA-N
XLogP2.41
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]-1-[6-(pyrimidin-4-ylamino)pyridazin-3-yl]piperidine-4-carboxamide
CID 117091509
N-[2-(4-hydroxyphenyl)ethyl]-1-[6-[(1-methylbenzimidazol-2-yl)amino]pyridazin-3-yl]piperidine-4-carboxamide
CID 117092602
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 30362082
1-[6-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]-N-propylpiperidine-4-carboxamide
CID 50826131
N-[2-(4-hydroxyphenyl)ethyl]cyclooctanecarboxamide
CID 65023099
N-[2-(4-fluorophenyl)ethyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 121071849
N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442114
1-(6-chloropyridazin-3-yl)-N-[(2R)-1-hydroxypropan-2-yl]piperidine-4-carboxamide
CID 100906673
CID 59303878
CID 59303878
1-(6-chloropyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 35440215
1-(6-methylpyridazin-3-yl)-N-propylpiperidine-4-carboxamide
CID 121118861
N-(3-chloro-4-methylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide
CID 46568702

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-chloropyridazin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]piperidine-4-carboxamide (CID 117087106) is 1-(6-chloropyridazin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]piperidine-4-carboxamide is O=C(NCCc1ccc(O)cc1)C1CCN(c2ccc(Cl)nn2)CC1.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is GFUKRRUXKNKYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c19-16-5-6-17(22-21-16)23-11-8-14(9-12-23)18(25)20-10-7-13-1-3-15(24)4-2-13/h1-6,14,24H,7-12H2,(H,20,25).
What are the key properties of 1-(6-chloropyridazin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]piperidine-4-carboxamide?
1-(6-chloropyridazin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 360.85 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 117087106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).