N-[(1-methylpyrrol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C14H18F3N3O2 — CID 110782529

IUPACN-[(1-methylpyrrol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCn1ccc(CNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)c1
InChIInChI=1S/C14H18F3N3O2/c1-19-5-2-10(9-19)8-18-12(21)11-3-6-20(7-4-11)13(22)14(15,16)17/h2,5,9,11H,3-4,6-8H2,1H3,(H,18,21)
InChIKeyHTACHAUUOJVNMN-UHFFFAOYSA-N
MW317.31 g/mol
LogP1.44
Rot. Bonds3

About N-[(1-methylpyrrol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-[(1-methylpyrrol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110782529) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is N-[(1-methylpyrrol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrrol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110782529
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC NameN-[(1-methylpyrrol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCn1ccc(CNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)c1
InChIInChI=1S/C14H18F3N3O2/c1-19-5-2-10(9-19)8-18-12(21)11-3-6-20(7-4-11)13(22)14(15,16)17/h2,5,9,11H,3-4,6-8H2,1H3,(H,18,21)
InChIKeyHTACHAUUOJVNMN-UHFFFAOYSA-N
XLogP1.44
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110782529) is N-[(1-methylpyrrol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1-methylpyrrol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1-methylpyrrol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is Cn1ccc(CNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)c1.
What is the InChIKey of N-[(1-methylpyrrol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is HTACHAUUOJVNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c1-19-5-2-10(9-19)8-18-12(21)11-3-6-20(7-4-11)13(22)14(15,16)17/h2,5,9,11H,3-4,6-8H2,1H3,(H,18,21).
What are the key properties of N-[(1-methylpyrrol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-[(1-methylpyrrol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 317.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110782529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).