N-[2-(methylamino)-6-(trifluoromethyl)phenyl]-N-piperidin-4-ylformamide

C14H18F3N3O — CID 170145375

IUPACN-[2-(methylamino)-6-(trifluoromethyl)phenyl]-N-piperidin-4-ylformamide
SMILESCNc1cccc(C(F)(F)F)c1N(C=O)C1CCNCC1
InChIInChI=1S/C14H18F3N3O/c1-18-12-4-2-3-11(14(15,16)17)13(12)20(9-21)10-5-7-19-8-6-10/h2-4,9-10,18-19H,5-8H2,1H3
InChIKeyJULQSUGRNXDIKU-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.46
Rot. Bonds4

About N-[2-(methylamino)-6-(trifluoromethyl)phenyl]-N-piperidin-4-ylformamide

N-[2-(methylamino)-6-(trifluoromethyl)phenyl]-N-piperidin-4-ylformamide (PubChem CID 170145375) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is N-[2-(methylamino)-6-(trifluoromethyl)phenyl]-N-piperidin-4-ylformamide.

Molecular Properties

Compound NameN-[2-(methylamino)-6-(trifluoromethyl)phenyl]-N-piperidin-4-ylformamide
PubChem CID170145375
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC NameN-[2-(methylamino)-6-(trifluoromethyl)phenyl]-N-piperidin-4-ylformamide
SMILESCNc1cccc(C(F)(F)F)c1N(C=O)C1CCNCC1
InChIInChI=1S/C14H18F3N3O/c1-18-12-4-2-3-11(14(15,16)17)13(12)20(9-21)10-5-7-19-8-6-10/h2-4,9-10,18-19H,5-8H2,1H3
InChIKeyJULQSUGRNXDIKU-UHFFFAOYSA-N
XLogP2.46
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)-6-(trifluoromethyl)phenyl]-N-piperidin-4-ylformamide?
The IUPAC name of N-[2-(methylamino)-6-(trifluoromethyl)phenyl]-N-piperidin-4-ylformamide (CID 170145375) is N-[2-(methylamino)-6-(trifluoromethyl)phenyl]-N-piperidin-4-ylformamide.
What is the SMILES notation for N-[2-(methylamino)-6-(trifluoromethyl)phenyl]-N-piperidin-4-ylformamide?
The canonical SMILES for N-[2-(methylamino)-6-(trifluoromethyl)phenyl]-N-piperidin-4-ylformamide is CNc1cccc(C(F)(F)F)c1N(C=O)C1CCNCC1.
What is the InChIKey of N-[2-(methylamino)-6-(trifluoromethyl)phenyl]-N-piperidin-4-ylformamide?
The InChIKey is JULQSUGRNXDIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-18-12-4-2-3-11(14(15,16)17)13(12)20(9-21)10-5-7-19-8-6-10/h2-4,9-10,18-19H,5-8H2,1H3.
What are the key properties of N-[2-(methylamino)-6-(trifluoromethyl)phenyl]-N-piperidin-4-ylformamide?
N-[2-(methylamino)-6-(trifluoromethyl)phenyl]-N-piperidin-4-ylformamide has a molecular weight of 301.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)-6-(trifluoromethyl)phenyl]-N-piperidin-4-ylformamide is sourced from PubChem (CID 170145375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).