N-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide

C15H18ClF3N2O — CID 91677756

IUPACN-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide
SMILESCCN(C(=O)C(F)(F)F)c1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C15H18ClF3N2O/c1-2-21(14(22)15(17,18)19)11-6-7-13(12(16)10-11)20-8-4-3-5-9-20/h6-7,10H,2-5,8-9H2,1H3
InChIKeyBRWWIPTYJHLLLG-UHFFFAOYSA-N
MW334.77 g/mol
LogP4.25
Rot. Bonds3

About N-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide

N-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide (PubChem CID 91677756) has the molecular formula C15H18ClF3N2O and a molecular weight of 334.77 g/mol. Its IUPAC name is N-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide
PubChem CID91677756
Molecular FormulaC15H18ClF3N2O
Molecular Weight334.77 g/mol
Exact Mass334.11
IUPAC NameN-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide
SMILESCCN(C(=O)C(F)(F)F)c1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C15H18ClF3N2O/c1-2-21(14(22)15(17,18)19)11-6-7-13(12(16)10-11)20-8-4-3-5-9-20/h6-7,10H,2-5,8-9H2,1H3
InChIKeyBRWWIPTYJHLLLG-UHFFFAOYSA-N
XLogP4.25
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.77
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

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CID 258327
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Piperazine, 1-(3-chlorophenyl)-4-(1-oxobutyl)-
CID 3072306
1-[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 2886337
1-[4-(3-Chlorophenyl)piperazin-1-yl]ethan-1-one
CID 258306
3'-Chloro-N-methylacetanilide
CID 258029
N-(2-chlorophenyl)-N-methylacetamide
CID 2735253
2-Chloro-1-(4-(3-chlorophenyl)piperazin-1-yl)ethan-1-one
CID 4165380
N-[3-Chloro-4-(4-ethyl-piperazin-1-yl)-phenyl]-propionamide
CID 952830
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 1092653
N-[3-chloro-4-(4-ethyl-1-piperazinyl)phenyl]hexanamide
CID 2066745
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-2,2-dimethylpropanamide
CID 3161423

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide (CID 91677756) is N-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide is CCN(C(=O)C(F)(F)F)c1ccc(N2CCCCC2)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide?
The InChIKey is BRWWIPTYJHLLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF3N2O/c1-2-21(14(22)15(17,18)19)11-6-7-13(12(16)10-11)20-8-4-3-5-9-20/h6-7,10H,2-5,8-9H2,1H3.
What are the key properties of N-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide?
N-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide has a molecular weight of 334.77 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-piperidin-1-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 91677756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).