2,2,2-trifluoro-N-[(2-piperidin-4-yl-1,2-dihydropyridin-6-yl)methyl]acetamide

C13H18F3N3O — CID 87326747

IUPAC2,2,2-trifluoro-N-[(2-piperidin-4-yl-1,2-dihydropyridin-6-yl)methyl]acetamide
SMILESO=C(NCC1=CC=CC(C2CCNCC2)N1)C(F)(F)F
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)12(20)18-8-10-2-1-3-11(19-10)9-4-6-17-7-5-9/h1-3,9,11,17,19H,4-8H2,(H,18,20)
InChIKeyFWGSQVDGHXWMHK-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.08
Rot. Bonds3

About 2,2,2-trifluoro-N-[(2-piperidin-4-yl-1,2-dihydropyridin-6-yl)methyl]acetamide

2,2,2-trifluoro-N-[(2-piperidin-4-yl-1,2-dihydropyridin-6-yl)methyl]acetamide (PubChem CID 87326747) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2-piperidin-4-yl-1,2-dihydropyridin-6-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2-piperidin-4-yl-1,2-dihydropyridin-6-yl)methyl]acetamide
PubChem CID87326747
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name2,2,2-trifluoro-N-[(2-piperidin-4-yl-1,2-dihydropyridin-6-yl)methyl]acetamide
SMILESO=C(NCC1=CC=CC(C2CCNCC2)N1)C(F)(F)F
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)12(20)18-8-10-2-1-3-11(19-10)9-4-6-17-7-5-9/h1-3,9,11,17,19H,4-8H2,(H,18,20)
InChIKeyFWGSQVDGHXWMHK-UHFFFAOYSA-N
XLogP1.08
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2-piperidin-4-yl-1,2-dihydropyridin-6-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2-piperidin-4-yl-1,2-dihydropyridin-6-yl)methyl]acetamide (CID 87326747) is 2,2,2-trifluoro-N-[(2-piperidin-4-yl-1,2-dihydropyridin-6-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2-piperidin-4-yl-1,2-dihydropyridin-6-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2-piperidin-4-yl-1,2-dihydropyridin-6-yl)methyl]acetamide is O=C(NCC1=CC=CC(C2CCNCC2)N1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2-piperidin-4-yl-1,2-dihydropyridin-6-yl)methyl]acetamide?
The InChIKey is FWGSQVDGHXWMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c14-13(15,16)12(20)18-8-10-2-1-3-11(19-10)9-4-6-17-7-5-9/h1-3,9,11,17,19H,4-8H2,(H,18,20).
What are the key properties of 2,2,2-trifluoro-N-[(2-piperidin-4-yl-1,2-dihydropyridin-6-yl)methyl]acetamide?
2,2,2-trifluoro-N-[(2-piperidin-4-yl-1,2-dihydropyridin-6-yl)methyl]acetamide has a molecular weight of 289.30 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2-piperidin-4-yl-1,2-dihydropyridin-6-yl)methyl]acetamide is sourced from PubChem (CID 87326747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).