N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C16H18ClF3N2O2 — CID 110344066

IUPACN-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H18ClF3N2O2/c17-13-3-1-11(2-4-13)5-8-21-14(23)12-6-9-22(10-7-12)15(24)16(18,19)20/h1-4,12H,5-10H2,(H,21,23)
InChIKeyIVZYKKRFIOALHK-UHFFFAOYSA-N
MW362.78 g/mol
LogP2.80
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110344066) has the molecular formula C16H18ClF3N2O2 and a molecular weight of 362.78 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110344066
Molecular FormulaC16H18ClF3N2O2
Molecular Weight362.78 g/mol
Exact Mass362.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H18ClF3N2O2/c17-13-3-1-11(2-4-13)5-8-21-14(23)12-6-9-22(10-7-12)15(24)16(18,19)20/h1-4,12H,5-10H2,(H,21,23)
InChIKeyIVZYKKRFIOALHK-UHFFFAOYSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.78
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 86991814
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 113005002
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110291553
N-[2-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 4072850
N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 112529064
N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110853463
N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 113005012
3-(4-chlorophenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide
CID 108556549
N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442114
N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71937760
N-[2-(4-chlorophenyl)ethyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide
CID 56921790

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110344066) is N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is O=C(NCCc1ccc(Cl)cc1)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is IVZYKKRFIOALHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF3N2O2/c17-13-3-1-11(2-4-13)5-8-21-14(23)12-6-9-22(10-7-12)15(24)16(18,19)20/h1-4,12H,5-10H2,(H,21,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 362.78 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110344066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).