N-(3,4-dichlorophenyl)-N-ethylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid

C16H19Cl2F3N2O3 — CID 86651712

IUPACN-(3,4-dichlorophenyl)-N-ethylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCN(C(=O)C1CCNCC1)c1ccc(Cl)c(Cl)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H18Cl2N2O.C2HF3O2/c1-2-18(11-3-4-12(15)13(16)9-11)14(19)10-5-7-17-8-6-10;3-2(4,5)1(6)7/h3-4,9-10,17H,2,5-8H2,1H3;(H,6,7)
InChIKeyYLCLCLBGQNHAEE-UHFFFAOYSA-N
MW415.24 g/mol
LogP3.98
Rot. Bonds3

About N-(3,4-dichlorophenyl)-N-ethylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid

N-(3,4-dichlorophenyl)-N-ethylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 86651712) has the molecular formula C16H19Cl2F3N2O3 and a molecular weight of 415.24 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N-ethylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N-ethylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID86651712
Molecular FormulaC16H19Cl2F3N2O3
Molecular Weight415.24 g/mol
Exact Mass414.07
IUPAC NameN-(3,4-dichlorophenyl)-N-ethylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCN(C(=O)C1CCNCC1)c1ccc(Cl)c(Cl)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H18Cl2N2O.C2HF3O2/c1-2-18(11-3-4-12(15)13(16)9-11)14(19)10-5-7-17-8-6-10;3-2(4,5)1(6)7/h3-4,9-10,17H,2,5-8H2,1H3;(H,6,7)
InChIKeyYLCLCLBGQNHAEE-UHFFFAOYSA-N
XLogP3.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.24
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N-ethylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(3,4-dichlorophenyl)-N-ethylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 86651712) is N-(3,4-dichlorophenyl)-N-ethylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N-ethylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(3,4-dichlorophenyl)-N-ethylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid is CCN(C(=O)C1CCNCC1)c1ccc(Cl)c(Cl)c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(3,4-dichlorophenyl)-N-ethylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is YLCLCLBGQNHAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O.C2HF3O2/c1-2-18(11-3-4-12(15)13(16)9-11)14(19)10-5-7-17-8-6-10;3-2(4,5)1(6)7/h3-4,9-10,17H,2,5-8H2,1H3;(H,6,7).
What are the key properties of N-(3,4-dichlorophenyl)-N-ethylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
N-(3,4-dichlorophenyl)-N-ethylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 415.24 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N-ethylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86651712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).