N-(3,4-dichlorophenyl)-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid

C15H17Cl2F3N2O3 — CID 67217709

IUPACN-(3,4-dichlorophenyl)-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
SMILESO=C(CC1CCNCC1)Nc1ccc(Cl)c(Cl)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H16Cl2N2O.C2HF3O2/c14-11-2-1-10(8-12(11)15)17-13(18)7-9-3-5-16-6-4-9;3-2(4,5)1(6)7/h1-2,8-9,16H,3-7H2,(H,17,18);(H,6,7)
InChIKeyXTHPHYOJIGYCDR-UHFFFAOYSA-N
MW401.21 g/mol
LogP3.95
Rot. Bonds3

About N-(3,4-dichlorophenyl)-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid

N-(3,4-dichlorophenyl)-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 67217709) has the molecular formula C15H17Cl2F3N2O3 and a molecular weight of 401.21 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
PubChem CID67217709
Molecular FormulaC15H17Cl2F3N2O3
Molecular Weight401.21 g/mol
Exact Mass400.06
IUPAC NameN-(3,4-dichlorophenyl)-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
SMILESO=C(CC1CCNCC1)Nc1ccc(Cl)c(Cl)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H16Cl2N2O.C2HF3O2/c14-11-2-1-10(8-12(11)15)17-13(18)7-9-3-5-16-6-4-9;3-2(4,5)1(6)7/h1-2,8-9,16H,3-7H2,(H,17,18);(H,6,7)
InChIKeyXTHPHYOJIGYCDR-UHFFFAOYSA-N
XLogP3.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.21
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(3,4-dichlorophenyl)-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid (CID 67217709) is N-(3,4-dichlorophenyl)-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid is O=C(CC1CCNCC1)Nc1ccc(Cl)c(Cl)c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is XTHPHYOJIGYCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O.C2HF3O2/c14-11-2-1-10(8-12(11)15)17-13(18)7-9-3-5-16-6-4-9;3-2(4,5)1(6)7/h1-2,8-9,16H,3-7H2,(H,17,18);(H,6,7).
What are the key properties of N-(3,4-dichlorophenyl)-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid?
N-(3,4-dichlorophenyl)-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 401.21 g/mol, XLogP of 3.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67217709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).