(2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]piperidine-1-carboxamide

C16H21F3N2O2 — CID 97306483

IUPAC(2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]piperidine-1-carboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)C(F)(F)F)N1CCCC[C@@H]1CO
InChIInChI=1S/C16H21F3N2O2/c17-16(18,19)14(10-12-6-2-1-3-7-12)20-15(23)21-9-5-4-8-13(21)11-22/h1-3,6-7,13-14,22H,4-5,8-11H2,(H,20,23)/t13-,14+/m1/s1
InChIKeyPJBWIDFHZHBJEO-KGLIPLIRSA-N
MW330.35 g/mol
LogP2.72
Rot. Bonds4

About (2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]piperidine-1-carboxamide

(2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]piperidine-1-carboxamide (PubChem CID 97306483) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]piperidine-1-carboxamide
PubChem CID97306483
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name(2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]piperidine-1-carboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)C(F)(F)F)N1CCCC[C@@H]1CO
InChIInChI=1S/C16H21F3N2O2/c17-16(18,19)14(10-12-6-2-1-3-7-12)20-15(23)21-9-5-4-8-13(21)11-22/h1-3,6-7,13-14,22H,4-5,8-11H2,(H,20,23)/t13-,14+/m1/s1
InChIKeyPJBWIDFHZHBJEO-KGLIPLIRSA-N
XLogP2.72
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]piperidine-1-carboxamide?
The IUPAC name of (2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]piperidine-1-carboxamide (CID 97306483) is (2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for (2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]piperidine-1-carboxamide is O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)N1CCCC[C@@H]1CO.
What is the InChIKey of (2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]piperidine-1-carboxamide?
The InChIKey is PJBWIDFHZHBJEO-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c17-16(18,19)14(10-12-6-2-1-3-7-12)20-15(23)21-9-5-4-8-13(21)11-22/h1-3,6-7,13-14,22H,4-5,8-11H2,(H,20,23)/t13-,14+/m1/s1.
What are the key properties of (2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]piperidine-1-carboxamide?
(2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]piperidine-1-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 97306483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).