4-amino-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]butanamide

C23H29F3N4O — CID 166062587

IUPAC4-amino-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]butanamide
SMILESNCCCC(=O)NCc1ccc(Nc2ccc(N3CCC(C(F)(F)F)CC3)cc2)cc1
InChIInChI=1S/C23H29F3N4O/c24-23(25,26)18-11-14-30(15-12-18)21-9-7-20(8-10-21)29-19-5-3-17(4-6-19)16-28-22(31)2-1-13-27/h3-10,18,29H,1-2,11-16,27H2,(H,28,31)
InChIKeyXCAULLKTFTZVTA-UHFFFAOYSA-N
MW434.51 g/mol
LogP4.56
Rot. Bonds8

About 4-amino-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]butanamide

4-amino-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]butanamide (PubChem CID 166062587) has the molecular formula C23H29F3N4O and a molecular weight of 434.51 g/mol. Its IUPAC name is 4-amino-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]butanamide
PubChem CID166062587
Molecular FormulaC23H29F3N4O
Molecular Weight434.51 g/mol
Exact Mass434.23
IUPAC Name4-amino-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]butanamide
SMILESNCCCC(=O)NCc1ccc(Nc2ccc(N3CCC(C(F)(F)F)CC3)cc2)cc1
InChIInChI=1S/C23H29F3N4O/c24-23(25,26)18-11-14-30(15-12-18)21-9-7-20(8-10-21)29-19-5-3-17(4-6-19)16-28-22(31)2-1-13-27/h3-10,18,29H,1-2,11-16,27H2,(H,28,31)
InChIKeyXCAULLKTFTZVTA-UHFFFAOYSA-N
XLogP4.56
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-oxopyrrolidin-1-yl)-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]propanamide
CID 166062263
N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 168752889
1-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]pyrrolidine-3-carboxamide
CID 166062233
N-phenyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline
CID 166061952
2-oxo-N-[[3-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]pyrrolidine-3-carboxamide
CID 168752895
N-[[4-[4-(4-propylpiperidin-1-yl)anilino]phenyl]methyl]acetamide
CID 168753006
N-[(4-acetamidophenyl)methyl]-4-aminobutanamide
CID 61260318
3-[4-(4-methylpiperidin-1-yl)anilino]-N-(pyridin-4-ylmethyl)propanamide
CID 109023888
2-amino-N-methyl-4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]benzamide
CID 167299959
4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide
CID 107231147
N-[[4-[[5-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]phenyl]methyl]pyrrolidine-3-carboxamide
CID 166062559
N-[(4-acetamidophenyl)methyl]-4-aminobutanamide;hydrochloride
CID 119277262

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]butanamide?
The IUPAC name of 4-amino-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]butanamide (CID 166062587) is 4-amino-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]butanamide.
What is the SMILES notation for 4-amino-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]butanamide?
The canonical SMILES for 4-amino-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]butanamide is NCCCC(=O)NCc1ccc(Nc2ccc(N3CCC(C(F)(F)F)CC3)cc2)cc1.
What is the InChIKey of 4-amino-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]butanamide?
The InChIKey is XCAULLKTFTZVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N4O/c24-23(25,26)18-11-14-30(15-12-18)21-9-7-20(8-10-21)29-19-5-3-17(4-6-19)16-28-22(31)2-1-13-27/h3-10,18,29H,1-2,11-16,27H2,(H,28,31).
What are the key properties of 4-amino-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]butanamide?
4-amino-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]butanamide has a molecular weight of 434.51 g/mol, XLogP of 4.56, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]butanamide is sourced from PubChem (CID 166062587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).