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

C17H23F2N3O2 — CID 95275158

IUPACN-[2-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-difluorophenyl]acetamide
SMILESCC(=O)Nc1cc(F)c(F)cc1NCC(=O)N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C17H23F2N3O2/c1-10-5-4-6-11(2)22(10)17(24)9-20-15-7-13(18)14(19)8-16(15)21-12(3)23/h7-8,10-11,20H,4-6,9H2,1-3H3,(H,21,23)/t10-,11+
InChIKeyBRLJGWMQVJHYNZ-PHIMTYICSA-N
MW339.39 g/mol
LogP3.12
Rot. Bonds4

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

N-[2-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-difluorophenyl]acetamide (PubChem CID 95275158) has the molecular formula C17H23F2N3O2 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[2-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-difluorophenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-difluorophenyl]acetamide
PubChem CID95275158
Molecular FormulaC17H23F2N3O2
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC NameN-[2-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-difluorophenyl]acetamide
SMILESCC(=O)Nc1cc(F)c(F)cc1NCC(=O)N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C17H23F2N3O2/c1-10-5-4-6-11(2)22(10)17(24)9-20-15-7-13(18)14(19)8-16(15)21-12(3)23/h7-8,10-11,20H,4-6,9H2,1-3H3,(H,21,23)/t10-,11+
InChIKeyBRLJGWMQVJHYNZ-PHIMTYICSA-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

Analyze N-[2-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-difluorophenyl]acetamide with MolForge

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Related Compounds

N-[5-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-2,4-difluorophenyl]acetamide
CID 71936733
N-[2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]acetamide
CID 95255682
2-(4-acetylanilino)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 95152526
4-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide
CID 167851880
2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-dimethoxybenzamide
CID 94811360
2-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-dimethoxybenzamide
CID 94811357
N-cyclopropyl-2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]benzamide
CID 71943998
(2S,6S)-N-(4-chloro-2-fluorophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 29056416
2-(2-acetamido-4,5-difluoroanilino)-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
CID 95282516
1-piperidin-1-yl-2-(2,4,5-trifluoroanilino)ethanone
CID 55118306
(4,5-difluoro-2-methylphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 738722
N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 110757185

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-difluorophenyl]acetamide?
The IUPAC name of N-[2-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-difluorophenyl]acetamide (CID 95275158) is N-[2-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-difluorophenyl]acetamide.
What is the SMILES notation for N-[2-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-difluorophenyl]acetamide?
The canonical SMILES for N-[2-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-difluorophenyl]acetamide is CC(=O)Nc1cc(F)c(F)cc1NCC(=O)N1[C@H](C)CCC[C@@H]1C.
What is the InChIKey of N-[2-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-difluorophenyl]acetamide?
The InChIKey is BRLJGWMQVJHYNZ-PHIMTYICSA-N. The full InChI is InChI=1S/C17H23F2N3O2/c1-10-5-4-6-11(2)22(10)17(24)9-20-15-7-13(18)14(19)8-16(15)21-12(3)23/h7-8,10-11,20H,4-6,9H2,1-3H3,(H,21,23)/t10-,11+.
What are the key properties of N-[2-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-difluorophenyl]acetamide?
N-[2-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-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-[2-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-difluorophenyl]acetamide is sourced from PubChem (CID 95275158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).