4-hydroxy-N-(1H-indol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide

C16H18F3N3O2 — CID 75443027

IUPAC4-hydroxy-N-(1H-indol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(NCc1cc2ccccc2[nH]1)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C16H18F3N3O2/c17-16(18,19)15(24)5-7-22(8-6-15)14(23)20-10-12-9-11-3-1-2-4-13(11)21-12/h1-4,9,21,24H,5-8,10H2,(H,20,23)
InChIKeyVRKJFQLLFSAZNJ-UHFFFAOYSA-N
MW341.33 g/mol
LogP2.77
Rot. Bonds2

About 4-hydroxy-N-(1H-indol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide

4-hydroxy-N-(1H-indol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 75443027) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 4-hydroxy-N-(1H-indol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(1H-indol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID75443027
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC Name4-hydroxy-N-(1H-indol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(NCc1cc2ccccc2[nH]1)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C16H18F3N3O2/c17-16(18,19)15(24)5-7-22(8-6-15)14(23)20-10-12-9-11-3-1-2-4-13(11)21-12/h1-4,9,21,24H,5-8,10H2,(H,20,23)
InChIKeyVRKJFQLLFSAZNJ-UHFFFAOYSA-N
XLogP2.77
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(1H-indol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-N-(1H-indol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide (CID 75443027) is 4-hydroxy-N-(1H-indol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(1H-indol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-(1H-indol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide is O=C(NCc1cc2ccccc2[nH]1)N1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 4-hydroxy-N-(1H-indol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is VRKJFQLLFSAZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c17-16(18,19)15(24)5-7-22(8-6-15)14(23)20-10-12-9-11-3-1-2-4-13(11)21-12/h1-4,9,21,24H,5-8,10H2,(H,20,23).
What are the key properties of 4-hydroxy-N-(1H-indol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
4-hydroxy-N-(1H-indol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 341.33 g/mol, XLogP of 2.77, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(1H-indol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 75443027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).