N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

C16H19F3N2O2 — CID 51309590

IUPACN-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H19F3N2O2/c1-2-20-14(22)11-7-9-21(10-8-11)15(23)12-3-5-13(6-4-12)16(17,18)19/h3-6,11H,2,7-10H2,1H3,(H,20,22)
InChIKeyBMJVRLZHTLXTIY-UHFFFAOYSA-N
MW328.33 g/mol
LogP2.69
Rot. Bonds3

About N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (PubChem CID 51309590) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
PubChem CID51309590
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC NameN-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H19F3N2O2/c1-2-20-14(22)11-7-9-21(10-8-11)15(23)12-3-5-13(6-4-12)16(17,18)19/h3-6,11H,2,7-10H2,1H3,(H,20,22)
InChIKeyBMJVRLZHTLXTIY-UHFFFAOYSA-N
XLogP2.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55486323
N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 86915487
N-[2-(tert-butylamino)-2-oxoethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 25471747
N-[3-oxo-3-(propylamino)propyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55976217
N-(3-hydroxypropyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 78854527
1-(4-aminobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 60963126
N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 17440941
N-[(2-methylphenyl)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26114390
N-(3-phenylprop-2-ynyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55510350
1-[4-(cyclopropanecarbonylamino)benzoyl]-N-ethylpiperidine-4-carboxamide
CID 32994989
N-(3-methylbutan-2-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46689590
1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 110350917

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (CID 51309590) is N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is CCNC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is BMJVRLZHTLXTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c1-2-20-14(22)11-7-9-21(10-8-11)15(23)12-3-5-13(6-4-12)16(17,18)19/h3-6,11H,2,7-10H2,1H3,(H,20,22).
What are the key properties of N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 328.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 51309590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).