(3R)-1-(6-chloropyridazin-3-yl)-N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]piperidine-3-carboxamide

C20H23ClF2N4O2 — CID 51956343

IUPAC(3R)-1-(6-chloropyridazin-3-yl)-N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]piperidine-3-carboxamide
SMILESCC[C@H](NC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccccc1OC(F)F
InChIInChI=1S/C20H23ClF2N4O2/c1-2-15(14-7-3-4-8-16(14)29-20(22)23)24-19(28)13-6-5-11-27(12-13)18-10-9-17(21)25-26-18/h3-4,7-10,13,15,20H,2,5-6,11-12H2,1H3,(H,24,28)/t13-,15+/m1/s1
InChIKeyIJUUNAWHVGEFLF-HIFRSBDPSA-N
MW424.88 g/mol
LogP4.22
Rot. Bonds7

About (3R)-1-(6-chloropyridazin-3-yl)-N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]piperidine-3-carboxamide

(3R)-1-(6-chloropyridazin-3-yl)-N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]piperidine-3-carboxamide (PubChem CID 51956343) has the molecular formula C20H23ClF2N4O2 and a molecular weight of 424.88 g/mol. Its IUPAC name is (3R)-1-(6-chloropyridazin-3-yl)-N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(6-chloropyridazin-3-yl)-N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]piperidine-3-carboxamide
PubChem CID51956343
Molecular FormulaC20H23ClF2N4O2
Molecular Weight424.88 g/mol
Exact Mass424.15
IUPAC Name(3R)-1-(6-chloropyridazin-3-yl)-N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]piperidine-3-carboxamide
SMILESCC[C@H](NC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccccc1OC(F)F
InChIInChI=1S/C20H23ClF2N4O2/c1-2-15(14-7-3-4-8-16(14)29-20(22)23)24-19(28)13-6-5-11-27(12-13)18-10-9-17(21)25-26-18/h3-4,7-10,13,15,20H,2,5-6,11-12H2,1H3,(H,24,28)/t13-,15+/m1/s1
InChIKeyIJUUNAWHVGEFLF-HIFRSBDPSA-N
XLogP4.22
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.88
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(6-chloropyridazin-3-yl)-N-[(1S)-1-(2-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 51956311
1-(6-chloropyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42959099
(3S)-N-benzhydryl-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide
CID 51955070
(3S)-1-(6-chloropyridazin-3-yl)-N-[(S)-(4-fluorophenyl)-phenylmethyl]piperidine-3-carboxamide
CID 51956085
N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55656274
(3R)-1-(6-chloropyridazin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 51983822
(3S)-1-(6-chloropyridazin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 94161671
(3S)-1-cyclopropyl-N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-5-oxopyrrolidine-3-carboxamide
CID 51727877
N-[1-[2-(difluoromethoxy)phenyl]propyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 55656137
N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443690
(3S)-N-(1-benzylpiperidin-4-yl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide
CID 96558501
(3S)-1-(6-chloropyridazin-3-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 51983369

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-chloropyridazin-3-yl)-N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(6-chloropyridazin-3-yl)-N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]piperidine-3-carboxamide (CID 51956343) is (3R)-1-(6-chloropyridazin-3-yl)-N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(6-chloropyridazin-3-yl)-N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(6-chloropyridazin-3-yl)-N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]piperidine-3-carboxamide is CC[C@H](NC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccccc1OC(F)F.
What is the InChIKey of (3R)-1-(6-chloropyridazin-3-yl)-N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]piperidine-3-carboxamide?
The InChIKey is IJUUNAWHVGEFLF-HIFRSBDPSA-N. The full InChI is InChI=1S/C20H23ClF2N4O2/c1-2-15(14-7-3-4-8-16(14)29-20(22)23)24-19(28)13-6-5-11-27(12-13)18-10-9-17(21)25-26-18/h3-4,7-10,13,15,20H,2,5-6,11-12H2,1H3,(H,24,28)/t13-,15+/m1/s1.
What are the key properties of (3R)-1-(6-chloropyridazin-3-yl)-N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]piperidine-3-carboxamide?
(3R)-1-(6-chloropyridazin-3-yl)-N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]piperidine-3-carboxamide has a molecular weight of 424.88 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-chloropyridazin-3-yl)-N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]piperidine-3-carboxamide is sourced from PubChem (CID 51956343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).