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

C23H28FN3O2 — CID 113132144

IUPAC3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(2-fluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1F)c1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C23H28FN3O2/c1-17-11-14-26(15-12-17)19-7-9-20(10-8-19)27(18(2)28)16-13-23(29)25-22-6-4-3-5-21(22)24/h3-10,17H,11-16H2,1-2H3,(H,25,29)
InChIKeyLXNAPVZERCFVPB-UHFFFAOYSA-N
MW397.49 g/mol
LogP4.44
Rot. Bonds6

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

3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(2-fluorophenyl)propanamide (PubChem CID 113132144) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(2-fluorophenyl)propanamide
PubChem CID113132144
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(2-fluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1F)c1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C23H28FN3O2/c1-17-11-14-26(15-12-17)19-7-9-20(10-8-19)27(18(2)28)16-13-23(29)25-22-6-4-3-5-21(22)24/h3-10,17H,11-16H2,1-2H3,(H,25,29)
InChIKeyLXNAPVZERCFVPB-UHFFFAOYSA-N
XLogP4.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
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

3-[N-acetyl-4-(dimethylamino)anilino]-N-(2-fluorophenyl)propanamide
CID 113131770
3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113132121
methyl 4-[acetyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]benzoate
CID 113131545
3-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxyphenyl)propanamide
CID 113132097
3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(furan-2-ylmethyl)propanamide
CID 113132124
3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-fluorophenyl)propanamide
CID 113128049
3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide
CID 113126739
N-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113132119
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]-2-methylpropanamide
CID 113062414
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]thiophene-2-carboxamide
CID 113062423
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]furan-2-carboxamide
CID 113062422
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclobutanecarboxamide
CID 113062438

Frequently Asked Questions

What is the IUPAC name of 3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(2-fluorophenyl)propanamide (CID 113132144) is 3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(2-fluorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1F)c1ccc(N2CCC(C)CC2)cc1.
What is the InChIKey of 3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(2-fluorophenyl)propanamide?
The InChIKey is LXNAPVZERCFVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-17-11-14-26(15-12-17)19-7-9-20(10-8-19)27(18(2)28)16-13-23(29)25-22-6-4-3-5-21(22)24/h3-10,17H,11-16H2,1-2H3,(H,25,29).
What are the key properties of 3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(2-fluorophenyl)propanamide?
3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(2-fluorophenyl)propanamide has a molecular weight of 397.49 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 113132144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).