3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide

C15H26F3N3O2 — CID 86817563

IUPAC3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide
SMILESC1CC(CN(C1)C(=O)NCC2CCN(CC2)CC(F)(F)F)CO
InChIInChI=1S/C15H26F3N3O2/c16-15(17,18)11-20-6-3-12(4-7-20)8-19-14(23)21-5-1-2-13(9-21)10-22/h12-13,22H,1-11H2,(H,19,23)
InChIKeyWJEZFZFSNZWAHP-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.50
Rot. Bonds4

About 3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide

3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide (PubChem CID 86817563) has the molecular formula C15H26F3N3O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide
PubChem CID86817563
Molecular FormulaC15H26F3N3O2
Molecular Weight337.38 g/mol
Exact Mass337.20
IUPAC Name3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide
SMILESC1CC(CN(C1)C(=O)NCC2CCN(CC2)CC(F)(F)F)CO
InChIInChI=1S/C15H26F3N3O2/c16-15(17,18)11-20-6-3-12(4-7-20)8-19-14(23)21-5-1-2-13(9-21)10-22/h12-13,22H,1-11H2,(H,19,23)
InChIKeyWJEZFZFSNZWAHP-UHFFFAOYSA-N
XLogP1.50
TPSA55.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity385

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide (CID 86817563) is 3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide is C1CC(CN(C1)C(=O)NCC2CCN(CC2)CC(F)(F)F)CO.
What is the InChIKey of 3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide?
The InChIKey is WJEZFZFSNZWAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N3O2/c16-15(17,18)11-20-6-3-12(4-7-20)8-19-14(23)21-5-1-2-13(9-21)10-22/h12-13,22H,1-11H2,(H,19,23).
What are the key properties of 3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide?
3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 86817563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).