1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-4-carboxamide

C15H17F3N4O — CID 95853346

IUPAC1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2c(C(F)(F)F)[nH]c3ncccc23)CC1
InChIInChI=1S/C15H17F3N4O/c16-15(17,18)12-11(10-2-1-5-20-14(10)21-12)8-22-6-3-9(4-7-22)13(19)23/h1-2,5,9H,3-4,6-8H2,(H2,19,23)(H,20,21)
InChIKeyABWOILQDDBJYEX-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.28
Rot. Bonds3

About 1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-4-carboxamide

1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-4-carboxamide (PubChem CID 95853346) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is 1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-4-carboxamide
PubChem CID95853346
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC Name1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2c(C(F)(F)F)[nH]c3ncccc23)CC1
InChIInChI=1S/C15H17F3N4O/c16-15(17,18)12-11(10-2-1-5-20-14(10)21-12)8-22-6-3-9(4-7-22)13(19)23/h1-2,5,9H,3-4,6-8H2,(H2,19,23)(H,20,21)
InChIKeyABWOILQDDBJYEX-UHFFFAOYSA-N
XLogP2.28
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 95853347
4-(4-fluorophenyl)-1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-4-ol
CID 92571653
3-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 95853010
2-tert-butyl-3-[(4-ethylpiperazin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 95853278
1-[[2-(ethylamino)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 55075402
2-cyclopentyl-3-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 95853016
1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18093901
1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperidin-4-ol
CID 95857721
1-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 2917692
2-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 92571670
1-[(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperidin-4-ol
CID 110234744
1-[[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-2-yl]methyl]piperidine-4-carboxamide
CID 23537006

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-4-carboxamide (CID 95853346) is 1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-4-carboxamide is NC(=O)C1CCN(Cc2c(C(F)(F)F)[nH]c3ncccc23)CC1.
What is the InChIKey of 1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-4-carboxamide?
The InChIKey is ABWOILQDDBJYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O/c16-15(17,18)12-11(10-2-1-5-20-14(10)21-12)8-22-6-3-9(4-7-22)13(19)23/h1-2,5,9H,3-4,6-8H2,(H2,19,23)(H,20,21).
What are the key properties of 1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-4-carboxamide?
1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-4-carboxamide has a molecular weight of 326.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 95853346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).