(2R)-2-(3-fluorophenyl)-2-[methyl-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide

C17H24FN3O2 — CID 99107147

IUPAC(2R)-2-(3-fluorophenyl)-2-[methyl-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide
SMILESC[C@H]1CCCCN1C(=O)CN(C)[C@@H](C(N)=O)c1cccc(F)c1
InChIInChI=1S/C17H24FN3O2/c1-12-6-3-4-9-21(12)15(22)11-20(2)16(17(19)23)13-7-5-8-14(18)10-13/h5,7-8,10,12,16H,3-4,6,9,11H2,1-2H3,(H2,19,23)/t12-,16+/m0/s1
InChIKeyZBMOHCXWKGKHDQ-BLLLJJGKSA-N
MW321.40 g/mol
LogP1.68
Rot. Bonds5

About (2R)-2-(3-fluorophenyl)-2-[methyl-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide

(2R)-2-(3-fluorophenyl)-2-[methyl-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide (PubChem CID 99107147) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is (2R)-2-(3-fluorophenyl)-2-[methyl-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound Name(2R)-2-(3-fluorophenyl)-2-[methyl-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide
PubChem CID99107147
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name(2R)-2-(3-fluorophenyl)-2-[methyl-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide
SMILESC[C@H]1CCCCN1C(=O)CN(C)[C@@H](C(N)=O)c1cccc(F)c1
InChIInChI=1S/C17H24FN3O2/c1-12-6-3-4-9-21(12)15(22)11-20(2)16(17(19)23)13-7-5-8-14(18)10-13/h5,7-8,10,12,16H,3-4,6,9,11H2,1-2H3,(H2,19,23)/t12-,16+/m0/s1
InChIKeyZBMOHCXWKGKHDQ-BLLLJJGKSA-N
XLogP1.68
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(3-fluorophenyl)-2-[methyl-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-fluorophenyl)methyl-methylamino]-1-(2-methylpiperidin-1-yl)ethanone
CID 86908473
(2S)-2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-phenylacetamide
CID 32616608
2-(3-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methyl-methylamino]acetamide
CID 110009403
N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-N-methyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 56566659
2-[5-(3-fluorophenyl)tetrazol-2-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 46806692
2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-(3-fluorophenyl)acetamide
CID 110930711
(2R)-2-(3-fluorophenyl)-2-[methyl-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]amino]acetamide
CID 99105593
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 95648491
3-[[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 56526587
2-(3-fluorophenyl)-2-[methyl-[(4-phenylphenyl)methyl]amino]acetamide
CID 86886828
2-(2-bromo-4-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 170456761
2-(3-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetic acid
CID 84747278

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-fluorophenyl)-2-[methyl-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide?
The IUPAC name of (2R)-2-(3-fluorophenyl)-2-[methyl-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide (CID 99107147) is (2R)-2-(3-fluorophenyl)-2-[methyl-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide.
What is the SMILES notation for (2R)-2-(3-fluorophenyl)-2-[methyl-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide?
The canonical SMILES for (2R)-2-(3-fluorophenyl)-2-[methyl-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide is C[C@H]1CCCCN1C(=O)CN(C)[C@@H](C(N)=O)c1cccc(F)c1.
What is the InChIKey of (2R)-2-(3-fluorophenyl)-2-[methyl-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide?
The InChIKey is ZBMOHCXWKGKHDQ-BLLLJJGKSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-12-6-3-4-9-21(12)15(22)11-20(2)16(17(19)23)13-7-5-8-14(18)10-13/h5,7-8,10,12,16H,3-4,6,9,11H2,1-2H3,(H2,19,23)/t12-,16+/m0/s1.
What are the key properties of (2R)-2-(3-fluorophenyl)-2-[methyl-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide?
(2R)-2-(3-fluorophenyl)-2-[methyl-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide has a molecular weight of 321.40 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-fluorophenyl)-2-[methyl-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 99107147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).