3-propyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide

C15H19F3N2O — CID 63132688

IUPAC3-propyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2ccc(F)c(F)c2F)CCCNC1
InChIInChI=1S/C15H19F3N2O/c1-2-6-15(7-3-8-19-9-15)14(21)20-11-5-4-10(16)12(17)13(11)18/h4-5,19H,2-3,6-9H2,1H3,(H,20,21)
InChIKeyOVCSOFQIDDMFNW-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.21
Rot. Bonds4

About 3-propyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide

3-propyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide (PubChem CID 63132688) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-propyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-propyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
PubChem CID63132688
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name3-propyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2ccc(F)c(F)c2F)CCCNC1
InChIInChI=1S/C15H19F3N2O/c1-2-6-15(7-3-8-19-9-15)14(21)20-11-5-4-10(16)12(17)13(11)18/h4-5,19H,2-3,6-9H2,1H3,(H,20,21)
InChIKeyOVCSOFQIDDMFNW-UHFFFAOYSA-N
XLogP3.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-iodophenyl)-3-propylpiperidine-3-carboxamide
CID 107625392
N-(4-bromo-2-ethylphenyl)-3-propylpiperidine-3-carboxamide
CID 81287911
N-(2,3-dichlorophenyl)-3-propylpiperidine-3-carboxamide
CID 63132539
N-(2,4-difluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63132090
N-(5-chloro-2-fluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63130400
N-(2-ethoxyphenyl)-3-propylpiperidine-3-carboxamide
CID 63132468
N-(4-hydroxy-2,5-dimethylphenyl)-3-propylpiperidine-3-carboxamide
CID 106954421
(3-propylpiperidin-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 59744658
N-(2-nitrophenyl)-3-propylpiperidine-3-carboxamide
CID 63130967
5-chloro-2-[(3-propylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63143879
3-ethyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-3-carboxamide
CID 107641764
N-(2,3-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63143656

Frequently Asked Questions

What is the IUPAC name of 3-propyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide?
The IUPAC name of 3-propyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide (CID 63132688) is 3-propyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-propyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide?
The canonical SMILES for 3-propyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide is CCCC1(C(=O)Nc2ccc(F)c(F)c2F)CCCNC1.
What is the InChIKey of 3-propyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide?
The InChIKey is OVCSOFQIDDMFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-2-6-15(7-3-8-19-9-15)14(21)20-11-5-4-10(16)12(17)13(11)18/h4-5,19H,2-3,6-9H2,1H3,(H,20,21).
What are the key properties of 3-propyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide?
3-propyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 63132688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).