N-[1-(6-chloropyrazin-2-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide

C18H17ClF4N4O2 — CID 133435154

IUPACN-[1-(6-chloropyrazin-2-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
SMILESCOc1ccc(C2CCN(c3cncc(Cl)n3)CC2NC(=O)C(F)(F)F)cc1F
InChIInChI=1S/C18H17ClF4N4O2/c1-29-14-3-2-10(6-12(14)20)11-4-5-27(16-8-24-7-15(19)26-16)9-13(11)25-17(28)18(21,22)23/h2-3,6-8,11,13H,4-5,9H2,1H3,(H,25,28)
InChIKeyUMAIQHXTAVVHAP-UHFFFAOYSA-N
MW432.81 g/mol
LogP3.32
Rot. Bonds4

About N-[1-(6-chloropyrazin-2-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide

N-[1-(6-chloropyrazin-2-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 133435154) has the molecular formula C18H17ClF4N4O2 and a molecular weight of 432.81 g/mol. Its IUPAC name is N-[1-(6-chloropyrazin-2-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-(6-chloropyrazin-2-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
PubChem CID133435154
Molecular FormulaC18H17ClF4N4O2
Molecular Weight432.81 g/mol
Exact Mass432.10
IUPAC NameN-[1-(6-chloropyrazin-2-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
SMILESCOc1ccc(C2CCN(c3cncc(Cl)n3)CC2NC(=O)C(F)(F)F)cc1F
InChIInChI=1S/C18H17ClF4N4O2/c1-29-14-3-2-10(6-12(14)20)11-4-5-27(16-8-24-7-15(19)26-16)9-13(11)25-17(28)18(21,22)23/h2-3,6-8,11,13H,4-5,9H2,1H3,(H,25,28)
InChIKeyUMAIQHXTAVVHAP-UHFFFAOYSA-N
XLogP3.32
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.81
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloropyrazin-2-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-(6-chloropyrazin-2-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide (CID 133435154) is N-[1-(6-chloropyrazin-2-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-(6-chloropyrazin-2-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-(6-chloropyrazin-2-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide is COc1ccc(C2CCN(c3cncc(Cl)n3)CC2NC(=O)C(F)(F)F)cc1F.
What is the InChIKey of N-[1-(6-chloropyrazin-2-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide?
The InChIKey is UMAIQHXTAVVHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF4N4O2/c1-29-14-3-2-10(6-12(14)20)11-4-5-27(16-8-24-7-15(19)26-16)9-13(11)25-17(28)18(21,22)23/h2-3,6-8,11,13H,4-5,9H2,1H3,(H,25,28).
What are the key properties of N-[1-(6-chloropyrazin-2-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide?
N-[1-(6-chloropyrazin-2-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 432.81 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloropyrazin-2-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 133435154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).