2-(4-methoxypiperidin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide

C15H19F3N2O2 — CID 56810586

IUPAC2-(4-methoxypiperidin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
SMILESCOC1CCN(C(C)C(=O)Nc2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C15H19F3N2O2/c1-9(20-7-5-10(22-2)6-8-20)15(21)19-12-4-3-11(16)13(17)14(12)18/h3-4,9-10H,5-8H2,1-2H3,(H,19,21)
InChIKeyCRMQENYSWFLOIX-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.54
Rot. Bonds4

About 2-(4-methoxypiperidin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide

2-(4-methoxypiperidin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 56810586) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-(4-methoxypiperidin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name2-(4-methoxypiperidin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID56810586
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name2-(4-methoxypiperidin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
SMILESCOC1CCN(C(C)C(=O)Nc2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C15H19F3N2O2/c1-9(20-7-5-10(22-2)6-8-20)15(21)19-12-4-3-11(16)13(17)14(12)18/h3-4,9-10H,5-8H2,1-2H3,(H,19,21)
InChIKeyCRMQENYSWFLOIX-UHFFFAOYSA-N
XLogP2.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 18078449
(2S)-2-(azocan-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 2655376
N-(2-amino-4-fluorophenyl)-2-(3-methoxypyrrolidin-1-yl)propanamide
CID 103530921
N-(4-amino-2-chlorophenyl)-2-(4-methoxypiperidin-1-yl)propanamide
CID 43372592
(2S)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 8774110
2-(4-hydroxypiperidin-1-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 46614754
(2S)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 9130375
(2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 8023118
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 16599163
2-methoxy-N-(2,3,4-trifluorophenyl)propanamide
CID 112685527
(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 2655636
(2S)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 9259545

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypiperidin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of 2-(4-methoxypiperidin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide (CID 56810586) is 2-(4-methoxypiperidin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for 2-(4-methoxypiperidin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for 2-(4-methoxypiperidin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide is COC1CCN(C(C)C(=O)Nc2ccc(F)c(F)c2F)CC1.
What is the InChIKey of 2-(4-methoxypiperidin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is CRMQENYSWFLOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-9(20-7-5-10(22-2)6-8-20)15(21)19-12-4-3-11(16)13(17)14(12)18/h3-4,9-10H,5-8H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-methoxypiperidin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide?
2-(4-methoxypiperidin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 316.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypiperidin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 56810586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).