N-[1-(3-phenylpropyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid

C28H28F6N2O3S — CID 44527070

IUPACN-[1-(3-phenylpropyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CCN(CCCc2ccccc2)CC1)c1ccc(-c2cccc(C(F)(F)F)c2)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H27F3N2OS.C2HF3O2/c27-26(28,29)21-10-4-9-20(18-21)23-11-12-24(33-23)25(32)30-22-13-16-31(17-14-22)15-5-8-19-6-2-1-3-7-19;3-2(4,5)1(6)7/h1-4,6-7,9-12,18,22H,5,8,13-17H2,(H,30,32);(H,6,7)
InChIKeyKUVJMXVOSGDNIS-UHFFFAOYSA-N
MW586.60 g/mol
LogP6.89
Rot. Bonds7

About N-[1-(3-phenylpropyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid

N-[1-(3-phenylpropyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 44527070) has the molecular formula C28H28F6N2O3S and a molecular weight of 586.60 g/mol. Its IUPAC name is N-[1-(3-phenylpropyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[1-(3-phenylpropyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID44527070
Molecular FormulaC28H28F6N2O3S
Molecular Weight586.60 g/mol
Exact Mass586.17
IUPAC NameN-[1-(3-phenylpropyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CCN(CCCc2ccccc2)CC1)c1ccc(-c2cccc(C(F)(F)F)c2)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H27F3N2OS.C2HF3O2/c27-26(28,29)21-10-4-9-20(18-21)23-11-12-24(33-23)25(32)30-22-13-16-31(17-14-22)15-5-8-19-6-2-1-3-7-19;3-2(4,5)1(6)7/h1-4,6-7,9-12,18,22H,5,8,13-17H2,(H,30,32);(H,6,7)
InChIKeyKUVJMXVOSGDNIS-UHFFFAOYSA-N
XLogP6.89
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.60
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(3-phenylpropyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-phenylpropyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[1-(3-phenylpropyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid (CID 44527070) is N-[1-(3-phenylpropyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[1-(3-phenylpropyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[1-(3-phenylpropyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid is O=C(NC1CCN(CCCc2ccccc2)CC1)c1ccc(-c2cccc(C(F)(F)F)c2)s1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[1-(3-phenylpropyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is KUVJMXVOSGDNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N2OS.C2HF3O2/c27-26(28,29)21-10-4-9-20(18-21)23-11-12-24(33-23)25(32)30-22-13-16-31(17-14-22)15-5-8-19-6-2-1-3-7-19;3-2(4,5)1(6)7/h1-4,6-7,9-12,18,22H,5,8,13-17H2,(H,30,32);(H,6,7).
What are the key properties of N-[1-(3-phenylpropyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
N-[1-(3-phenylpropyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 586.60 g/mol, XLogP of 6.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-phenylpropyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 44527070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).