N-[5-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-2,4-difluorophenyl]acetamide

C17H23F2N3O2 — CID 71936733

IUPACN-[5-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-2,4-difluorophenyl]acetamide
SMILESCC(=O)Nc1cc(NCC(=O)N2C(C)CCCC2C)c(F)cc1F
InChIInChI=1S/C17H23F2N3O2/c1-10-5-4-6-11(2)22(10)17(24)9-20-15-8-16(21-12(3)23)14(19)7-13(15)18/h7-8,10-11,20H,4-6,9H2,1-3H3,(H,21,23)
InChIKeyCRFMSMUQEBZYOI-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.12
Rot. Bonds4

About N-[5-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-2,4-difluorophenyl]acetamide

N-[5-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-2,4-difluorophenyl]acetamide (PubChem CID 71936733) has the molecular formula C17H23F2N3O2 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[5-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-2,4-difluorophenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-2,4-difluorophenyl]acetamide
PubChem CID71936733
Molecular FormulaC17H23F2N3O2
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC NameN-[5-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-2,4-difluorophenyl]acetamide
SMILESCC(=O)Nc1cc(NCC(=O)N2C(C)CCCC2C)c(F)cc1F
InChIInChI=1S/C17H23F2N3O2/c1-10-5-4-6-11(2)22(10)17(24)9-20-15-8-16(21-12(3)23)14(19)7-13(15)18/h7-8,10-11,20H,4-6,9H2,1-3H3,(H,21,23)
InChIKeyCRFMSMUQEBZYOI-UHFFFAOYSA-N
XLogP3.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-2,4-difluorophenyl]acetamide?
The IUPAC name of N-[5-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-2,4-difluorophenyl]acetamide (CID 71936733) is N-[5-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-2,4-difluorophenyl]acetamide.
What is the SMILES notation for N-[5-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-2,4-difluorophenyl]acetamide?
The canonical SMILES for N-[5-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-2,4-difluorophenyl]acetamide is CC(=O)Nc1cc(NCC(=O)N2C(C)CCCC2C)c(F)cc1F.
What is the InChIKey of N-[5-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-2,4-difluorophenyl]acetamide?
The InChIKey is CRFMSMUQEBZYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O2/c1-10-5-4-6-11(2)22(10)17(24)9-20-15-8-16(21-12(3)23)14(19)7-13(15)18/h7-8,10-11,20H,4-6,9H2,1-3H3,(H,21,23).
What are the key properties of N-[5-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-2,4-difluorophenyl]acetamide?
N-[5-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-2,4-difluorophenyl]acetamide has a molecular weight of 339.39 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-2,4-difluorophenyl]acetamide is sourced from PubChem (CID 71936733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).