4-[[(1-benzylpiperidin-4-yl)amino]methyl]-N-(naphthalen-1-ylmethyl)benzamide;2,2,2-trifluoroacetic acid

C33H34F3N3O3 — CID 44535243

IUPAC4-[[(1-benzylpiperidin-4-yl)amino]methyl]-N-(naphthalen-1-ylmethyl)benzamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCc1cccc2ccccc12)c1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C31H33N3O.C2HF3O2/c35-31(33-22-28-11-6-10-26-9-4-5-12-30(26)28)27-15-13-24(14-16-27)21-32-29-17-19-34(20-18-29)23-25-7-2-1-3-8-25;3-2(4,5)1(6)7/h1-16,29,32H,17-23H2,(H,33,35);(H,6,7)
InChIKeyHYSHFQIRSMYZRJ-UHFFFAOYSA-N
MW577.65 g/mol
LogP6.16
Rot. Bonds8

About 4-[[(1-benzylpiperidin-4-yl)amino]methyl]-N-(naphthalen-1-ylmethyl)benzamide;2,2,2-trifluoroacetic acid

4-[[(1-benzylpiperidin-4-yl)amino]methyl]-N-(naphthalen-1-ylmethyl)benzamide;2,2,2-trifluoroacetic acid (PubChem CID 44535243) has the molecular formula C33H34F3N3O3 and a molecular weight of 577.65 g/mol. Its IUPAC name is 4-[[(1-benzylpiperidin-4-yl)amino]methyl]-N-(naphthalen-1-ylmethyl)benzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[[(1-benzylpiperidin-4-yl)amino]methyl]-N-(naphthalen-1-ylmethyl)benzamide;2,2,2-trifluoroacetic acid
PubChem CID44535243
Molecular FormulaC33H34F3N3O3
Molecular Weight577.65 g/mol
Exact Mass577.26
IUPAC Name4-[[(1-benzylpiperidin-4-yl)amino]methyl]-N-(naphthalen-1-ylmethyl)benzamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCc1cccc2ccccc12)c1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C31H33N3O.C2HF3O2/c35-31(33-22-28-11-6-10-26-9-4-5-12-30(26)28)27-15-13-24(14-16-27)21-32-29-17-19-34(20-18-29)23-25-7-2-1-3-8-25;3-2(4,5)1(6)7/h1-16,29,32H,17-23H2,(H,33,35);(H,6,7)
InChIKeyHYSHFQIRSMYZRJ-UHFFFAOYSA-N
XLogP6.16
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.65
LogP ≤ 56.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[(1-benzylpiperidin-4-yl)amino]methyl]-N-(naphthalen-1-ylmethyl)benzamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

Lomitapide
CID 9853053
N,N'-dicyclohexyl-2,6-naphthalenedicarboxamide
CID 21987656
N-(1-benzylpiperidin-4-yl)naphthalene-2-carboxamide
CID 16725912
N-(1-phenethylpiperidin-4-yl)-1-naphthamide
CID 35295787
N-[1-(2-phenylethyl)piperidin-4-yl]naphthalene-2-carboxamide
CID 35296170
3-(aminomethyl)-N-[(2R)-1-[[(2R)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]benzamide
CID 10394326
N,N-Diethyl-4-(naphthalen-1-yl-piperidin-4-ylidene-methyl)-benzamide
CID 10620902
Lomitapide metabolite M9
CID 44394967
N-(1-(1-phenylethyl)piperidin-4-yl)-1-naphthamide
CID 44426498
N-(1-(4-phenylbutyl)piperidin-4-yl)-1-naphthamide
CID 44426502
N-(1-(1-phenylethyl)piperidin-4-yl)-2-naphthamide
CID 44426508
N-(1-(4-phenylbutyl)piperidin-4-yl)-2-naphthamide
CID 44426510

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-benzylpiperidin-4-yl)amino]methyl]-N-(naphthalen-1-ylmethyl)benzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[[(1-benzylpiperidin-4-yl)amino]methyl]-N-(naphthalen-1-ylmethyl)benzamide;2,2,2-trifluoroacetic acid (CID 44535243) is 4-[[(1-benzylpiperidin-4-yl)amino]methyl]-N-(naphthalen-1-ylmethyl)benzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[[(1-benzylpiperidin-4-yl)amino]methyl]-N-(naphthalen-1-ylmethyl)benzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[[(1-benzylpiperidin-4-yl)amino]methyl]-N-(naphthalen-1-ylmethyl)benzamide;2,2,2-trifluoroacetic acid is O=C(NCc1cccc2ccccc12)c1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[[(1-benzylpiperidin-4-yl)amino]methyl]-N-(naphthalen-1-ylmethyl)benzamide;2,2,2-trifluoroacetic acid?
The InChIKey is HYSHFQIRSMYZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O.C2HF3O2/c35-31(33-22-28-11-6-10-26-9-4-5-12-30(26)28)27-15-13-24(14-16-27)21-32-29-17-19-34(20-18-29)23-25-7-2-1-3-8-25;3-2(4,5)1(6)7/h1-16,29,32H,17-23H2,(H,33,35);(H,6,7).
What are the key properties of 4-[[(1-benzylpiperidin-4-yl)amino]methyl]-N-(naphthalen-1-ylmethyl)benzamide;2,2,2-trifluoroacetic acid?
4-[[(1-benzylpiperidin-4-yl)amino]methyl]-N-(naphthalen-1-ylmethyl)benzamide;2,2,2-trifluoroacetic acid has a molecular weight of 577.65 g/mol, XLogP of 6.16, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-benzylpiperidin-4-yl)amino]methyl]-N-(naphthalen-1-ylmethyl)benzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 44535243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).