2-(1-acetylpiperidin-4-yl)-N-[3-(3,5-difluorophenyl)-4,5-dimethyl-2,3-dihydropyridin-6-yl]acetamide

C22H27F2N3O2 — CID 70889263

IUPAC2-(1-acetylpiperidin-4-yl)-N-[3-(3,5-difluorophenyl)-4,5-dimethyl-2,3-dihydropyridin-6-yl]acetamide
SMILESCC(=O)N1CCC(CC(=O)NC2=NCC(c3cc(F)cc(F)c3)C(C)=C2C)CC1
InChIInChI=1S/C22H27F2N3O2/c1-13-14(2)22(25-12-20(13)17-9-18(23)11-19(24)10-17)26-21(29)8-16-4-6-27(7-5-16)15(3)28/h9-11,16,20H,4-8,12H2,1-3H3,(H,25,26,29)
InChIKeyDMVQXKAXJQAFDT-UHFFFAOYSA-N
MW403.47 g/mol
LogP3.56
Rot. Bonds3

About 2-(1-acetylpiperidin-4-yl)-N-[3-(3,5-difluorophenyl)-4,5-dimethyl-2,3-dihydropyridin-6-yl]acetamide

2-(1-acetylpiperidin-4-yl)-N-[3-(3,5-difluorophenyl)-4,5-dimethyl-2,3-dihydropyridin-6-yl]acetamide (PubChem CID 70889263) has the molecular formula C22H27F2N3O2 and a molecular weight of 403.47 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)-N-[3-(3,5-difluorophenyl)-4,5-dimethyl-2,3-dihydropyridin-6-yl]acetamide.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)-N-[3-(3,5-difluorophenyl)-4,5-dimethyl-2,3-dihydropyridin-6-yl]acetamide
PubChem CID70889263
Molecular FormulaC22H27F2N3O2
Molecular Weight403.47 g/mol
Exact Mass403.21
IUPAC Name2-(1-acetylpiperidin-4-yl)-N-[3-(3,5-difluorophenyl)-4,5-dimethyl-2,3-dihydropyridin-6-yl]acetamide
SMILESCC(=O)N1CCC(CC(=O)NC2=NCC(c3cc(F)cc(F)c3)C(C)=C2C)CC1
InChIInChI=1S/C22H27F2N3O2/c1-13-14(2)22(25-12-20(13)17-9-18(23)11-19(24)10-17)26-21(29)8-16-4-6-27(7-5-16)15(3)28/h9-11,16,20H,4-8,12H2,1-3H3,(H,25,26,29)
InChIKeyDMVQXKAXJQAFDT-UHFFFAOYSA-N
XLogP3.56
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)-N-[3-(3,5-difluorophenyl)-4,5-dimethyl-2,3-dihydropyridin-6-yl]acetamide?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)-N-[3-(3,5-difluorophenyl)-4,5-dimethyl-2,3-dihydropyridin-6-yl]acetamide (CID 70889263) is 2-(1-acetylpiperidin-4-yl)-N-[3-(3,5-difluorophenyl)-4,5-dimethyl-2,3-dihydropyridin-6-yl]acetamide.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)-N-[3-(3,5-difluorophenyl)-4,5-dimethyl-2,3-dihydropyridin-6-yl]acetamide?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)-N-[3-(3,5-difluorophenyl)-4,5-dimethyl-2,3-dihydropyridin-6-yl]acetamide is CC(=O)N1CCC(CC(=O)NC2=NCC(c3cc(F)cc(F)c3)C(C)=C2C)CC1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)-N-[3-(3,5-difluorophenyl)-4,5-dimethyl-2,3-dihydropyridin-6-yl]acetamide?
The InChIKey is DMVQXKAXJQAFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N3O2/c1-13-14(2)22(25-12-20(13)17-9-18(23)11-19(24)10-17)26-21(29)8-16-4-6-27(7-5-16)15(3)28/h9-11,16,20H,4-8,12H2,1-3H3,(H,25,26,29).
What are the key properties of 2-(1-acetylpiperidin-4-yl)-N-[3-(3,5-difluorophenyl)-4,5-dimethyl-2,3-dihydropyridin-6-yl]acetamide?
2-(1-acetylpiperidin-4-yl)-N-[3-(3,5-difluorophenyl)-4,5-dimethyl-2,3-dihydropyridin-6-yl]acetamide has a molecular weight of 403.47 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)-N-[3-(3,5-difluorophenyl)-4,5-dimethyl-2,3-dihydropyridin-6-yl]acetamide is sourced from PubChem (CID 70889263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).