(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]acetamide

C23H27F2N3O2 — CID 97060567

IUPAC(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]acetamide
SMILESCN(C)[C@H](C(=O)NCc1cccc(C(=O)N2CCCCC2)c1)c1c(F)cccc1F
InChIInChI=1S/C23H27F2N3O2/c1-27(2)21(20-18(24)10-7-11-19(20)25)22(29)26-15-16-8-6-9-17(14-16)23(30)28-12-4-3-5-13-28/h6-11,14,21H,3-5,12-13,15H2,1-2H3,(H,26,29)/t21-/m0/s1
InChIKeyNWPJLBFIWYKOPA-NRFANRHFSA-N
MW415.48 g/mol
LogP3.51
Rot. Bonds6

About (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]acetamide

(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]acetamide (PubChem CID 97060567) has the molecular formula C23H27F2N3O2 and a molecular weight of 415.48 g/mol. Its IUPAC name is (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]acetamide
PubChem CID97060567
Molecular FormulaC23H27F2N3O2
Molecular Weight415.48 g/mol
Exact Mass415.21
IUPAC Name(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]acetamide
SMILESCN(C)[C@H](C(=O)NCc1cccc(C(=O)N2CCCCC2)c1)c1c(F)cccc1F
InChIInChI=1S/C23H27F2N3O2/c1-27(2)21(20-18(24)10-7-11-19(20)25)22(29)26-15-16-8-6-9-17(14-16)23(30)28-12-4-3-5-13-28/h6-11,14,21H,3-5,12-13,15H2,1-2H3,(H,26,29)/t21-/m0/s1
InChIKeyNWPJLBFIWYKOPA-NRFANRHFSA-N
XLogP3.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]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

N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
4-chloro-N-[3-methyl-1-oxo-1-[[3-(piperidine-1-carbonyl)phenyl]methylamino]butan-2-yl]benzamide
CID 55693102
1-benzyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]thiourea
CID 43075884
3-methyl-N-[1-oxo-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methylamino]propan-2-yl]benzamide
CID 55883848
azepan-1-yl-(3-ethylphenyl)methanone
CID 59382478
1-[2-(2-fluorophenoxy)propyl]-2-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]guanidine;hydroiodide
CID 111684717
3-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid
CID 119911984
1-(4-chloro-3-fluorophenyl)-3-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]urea
CID 55747688
N-[1-oxo-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methylamino]propan-2-yl]thiophene-2-carboxamide
CID 46477196
3-fluoro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 47064934
1-[3-[[[butyl(methyl)sulfamoyl]amino]methyl]benzoyl]pyrrolidine
CID 47064925
4-propan-2-ylsulfanyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 47057188

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]acetamide?
The IUPAC name of (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]acetamide (CID 97060567) is (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]acetamide.
What is the SMILES notation for (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]acetamide?
The canonical SMILES for (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]acetamide is CN(C)[C@H](C(=O)NCc1cccc(C(=O)N2CCCCC2)c1)c1c(F)cccc1F.
What is the InChIKey of (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]acetamide?
The InChIKey is NWPJLBFIWYKOPA-NRFANRHFSA-N. The full InChI is InChI=1S/C23H27F2N3O2/c1-27(2)21(20-18(24)10-7-11-19(20)25)22(29)26-15-16-8-6-9-17(14-16)23(30)28-12-4-3-5-13-28/h6-11,14,21H,3-5,12-13,15H2,1-2H3,(H,26,29)/t21-/m0/s1.
What are the key properties of (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]acetamide?
(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]acetamide has a molecular weight of 415.48 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]acetamide is sourced from PubChem (CID 97060567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).