(2R)-N-(3-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide

C21H26FN3O — CID 25352661

IUPAC(2R)-N-(3-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
SMILESCC1CCN(c2ccc(N[C@H](C)C(=O)Nc3cccc(F)c3)cc2)CC1
InChIInChI=1S/C21H26FN3O/c1-15-10-12-25(13-11-15)20-8-6-18(7-9-20)23-16(2)21(26)24-19-5-3-4-17(22)14-19/h3-9,14-16,23H,10-13H2,1-2H3,(H,24,26)/t16-/m1/s1
InChIKeyAZYIRHJYFWYAHK-MRXNPFEDSA-N
MW355.46 g/mol
LogP4.50
Rot. Bonds5

About (2R)-N-(3-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide

(2R)-N-(3-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide (PubChem CID 25352661) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is (2R)-N-(3-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
PubChem CID25352661
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name(2R)-N-(3-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
SMILESCC1CCN(c2ccc(N[C@H](C)C(=O)Nc3cccc(F)c3)cc2)CC1
InChIInChI=1S/C21H26FN3O/c1-15-10-12-25(13-11-15)20-8-6-18(7-9-20)23-16(2)21(26)24-19-5-3-4-17(22)14-19/h3-9,14-16,23H,10-13H2,1-2H3,(H,24,26)/t16-/m1/s1
InChIKeyAZYIRHJYFWYAHK-MRXNPFEDSA-N
XLogP4.50
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(3-methoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 25388633
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 25352078
N-(3-fluorophenyl)-2-(4-methylanilino)propanamide
CID 51242421
4-(3-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide
CID 113114501
(2S)-N-(2,5-dimethoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 25351726
2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 60719278
(2R)-N-(2,5-difluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide
CID 25389306
N'-(3-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986740
(2S)-N-(2-chloro-4-nitrophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 25357702
2-(4-fluoroanilino)-N-(3-methylphenyl)propanamide
CID 46757746
1-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]urea
CID 122299621
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108992236

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide?
The IUPAC name of (2R)-N-(3-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide (CID 25352661) is (2R)-N-(3-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide.
What is the SMILES notation for (2R)-N-(3-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide?
The canonical SMILES for (2R)-N-(3-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide is CC1CCN(c2ccc(N[C@H](C)C(=O)Nc3cccc(F)c3)cc2)CC1.
What is the InChIKey of (2R)-N-(3-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide?
The InChIKey is AZYIRHJYFWYAHK-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-15-10-12-25(13-11-15)20-8-6-18(7-9-20)23-16(2)21(26)24-19-5-3-4-17(22)14-19/h3-9,14-16,23H,10-13H2,1-2H3,(H,24,26)/t16-/m1/s1.
What are the key properties of (2R)-N-(3-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide?
(2R)-N-(3-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide has a molecular weight of 355.46 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide is sourced from PubChem (CID 25352661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).