3,4,5-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide

C15H19F3N2O — CID 115610737

IUPAC3,4,5-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
SMILESCN1CCC(CCNC(=O)c2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C15H19F3N2O/c1-20-6-3-10(4-7-20)2-5-19-15(21)11-8-12(16)14(18)13(17)9-11/h8-10H,2-7H2,1H3,(H,19,21)
InChIKeyUJPGNTMQPMIAMC-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.57
Rot. Bonds4

About 3,4,5-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide

3,4,5-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide (PubChem CID 115610737) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
PubChem CID115610737
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name3,4,5-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
SMILESCN1CCC(CCNC(=O)c2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C15H19F3N2O/c1-20-6-3-10(4-7-20)2-5-19-15(21)11-8-12(16)14(18)13(17)9-11/h8-10H,2-7H2,1H3,(H,19,21)
InChIKeyUJPGNTMQPMIAMC-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide
CID 115601906
3,4,5-trimethoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99702429
3-methyl-4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114516650
3-amino-4,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514817
4-amino-3,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63185576
4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide;dihydrochloride
CID 119865905
5-iodo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-carboxamide
CID 115618153
5-amino-2-fluoro-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 103296905
4-fluoro-2-hydroxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 103829910
2-bromo-6-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 115678882
2-amino-5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514864
4-amino-3,5-difluoro-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63184925

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The IUPAC name of 3,4,5-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide (CID 115610737) is 3,4,5-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The canonical SMILES for 3,4,5-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide is CN1CCC(CCNC(=O)c2cc(F)c(F)c(F)c2)CC1.
What is the InChIKey of 3,4,5-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The InChIKey is UJPGNTMQPMIAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-20-6-3-10(4-7-20)2-5-19-15(21)11-8-12(16)14(18)13(17)9-11/h8-10H,2-7H2,1H3,(H,19,21).
What are the key properties of 3,4,5-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
3,4,5-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide has a molecular weight of 300.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide is sourced from PubChem (CID 115610737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).