1-(3-methylpiperidin-1-yl)-3-(2,3,4-trifluoroanilino)propan-1-one

C15H19F3N2O — CID 109032918

IUPAC1-(3-methylpiperidin-1-yl)-3-(2,3,4-trifluoroanilino)propan-1-one
SMILESCC1CCCN(C(=O)CCNc2ccc(F)c(F)c2F)C1
InChIInChI=1S/C15H19F3N2O/c1-10-3-2-8-20(9-10)13(21)6-7-19-12-5-4-11(16)14(17)15(12)18/h4-5,10,19H,2-3,6-9H2,1H3
InChIKeyFUSLARQKVMNVQY-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.16
Rot. Bonds4

About 1-(3-methylpiperidin-1-yl)-3-(2,3,4-trifluoroanilino)propan-1-one

1-(3-methylpiperidin-1-yl)-3-(2,3,4-trifluoroanilino)propan-1-one (PubChem CID 109032918) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)-3-(2,3,4-trifluoroanilino)propan-1-one.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)-3-(2,3,4-trifluoroanilino)propan-1-one
PubChem CID109032918
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name1-(3-methylpiperidin-1-yl)-3-(2,3,4-trifluoroanilino)propan-1-one
SMILESCC1CCCN(C(=O)CCNc2ccc(F)c(F)c2F)C1
InChIInChI=1S/C15H19F3N2O/c1-10-3-2-8-20(9-10)13(21)6-7-19-12-5-4-11(16)14(17)15(12)18/h4-5,10,19H,2-3,6-9H2,1H3
InChIKeyFUSLARQKVMNVQY-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
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

3-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032840
3-(2-methoxyanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032853
3-[2-(4-chlorophenyl)ethylamino]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109028026
ethyl 4-[3-(2,3,4-trifluoroanilino)propanoyl]piperazine-1-carboxylate
CID 109029120
3-(3-acetylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032867
2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 111144387
3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 94133767
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,3,4-trifluoroanilino)propan-1-one
CID 109028466
3-[(5-fluoro-2-methylphenyl)methylamino]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 50956361
3-[2-(3-chlorophenyl)ethylamino]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032811
N-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 17250026
2,4-difluoro-N-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]benzamide
CID 51192571

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-1-yl)-3-(2,3,4-trifluoroanilino)propan-1-one?
The IUPAC name of 1-(3-methylpiperidin-1-yl)-3-(2,3,4-trifluoroanilino)propan-1-one (CID 109032918) is 1-(3-methylpiperidin-1-yl)-3-(2,3,4-trifluoroanilino)propan-1-one.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)-3-(2,3,4-trifluoroanilino)propan-1-one?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)-3-(2,3,4-trifluoroanilino)propan-1-one is CC1CCCN(C(=O)CCNc2ccc(F)c(F)c2F)C1.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)-3-(2,3,4-trifluoroanilino)propan-1-one?
The InChIKey is FUSLARQKVMNVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-10-3-2-8-20(9-10)13(21)6-7-19-12-5-4-11(16)14(17)15(12)18/h4-5,10,19H,2-3,6-9H2,1H3.
What are the key properties of 1-(3-methylpiperidin-1-yl)-3-(2,3,4-trifluoroanilino)propan-1-one?
1-(3-methylpiperidin-1-yl)-3-(2,3,4-trifluoroanilino)propan-1-one has a molecular weight of 300.32 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-1-yl)-3-(2,3,4-trifluoroanilino)propan-1-one is sourced from PubChem (CID 109032918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).