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

C15H26F3N3O2 — CID 99823286

IUPAC(3R)-3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)CC1)N1CCC[C@@H](CO)C1
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)/t13-/m1/s1
InChIKeyWJEZFZFSNZWAHP-CYBMUJFWSA-N
MW337.39 g/mol
LogP1.67
Rot. Bonds4

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

(3R)-3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide (PubChem CID 99823286) has the molecular formula C15H26F3N3O2 and a molecular weight of 337.39 g/mol. Its IUPAC name is (3R)-3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide
PubChem CID99823286
Molecular FormulaC15H26F3N3O2
Molecular Weight337.39 g/mol
Exact Mass337.20
IUPAC Name(3R)-3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)CC1)N1CCC[C@@H](CO)C1
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)/t13-/m1/s1
InChIKeyWJEZFZFSNZWAHP-CYBMUJFWSA-N
XLogP1.67
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide (CID 99823286) is (3R)-3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide is O=C(NCC1CCN(CC(F)(F)F)CC1)N1CCC[C@@H](CO)C1.
What is the InChIKey of (3R)-3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide?
The InChIKey is WJEZFZFSNZWAHP-CYBMUJFWSA-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)/t13-/m1/s1.
What are the key properties of (3R)-3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide?
(3R)-3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide has a molecular weight of 337.39 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 99823286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).