N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2,3,4-trifluorophenyl)acetamide

C13H15F3N2O2 — CID 70784817

IUPACN-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)c(F)c1F)N[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C13H15F3N2O2/c14-8-2-1-7(12(15)13(8)16)5-11(20)18-9-3-4-17-6-10(9)19/h1-2,9-10,17,19H,3-6H2,(H,18,20)/t9-,10-/m1/s1
InChIKeyVLUGOUVIJNEEGF-NXEZZACHSA-N
MW288.27 g/mol
LogP0.49
Rot. Bonds3

About N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2,3,4-trifluorophenyl)acetamide

N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2,3,4-trifluorophenyl)acetamide (PubChem CID 70784817) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2,3,4-trifluorophenyl)acetamide
PubChem CID70784817
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC NameN-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)c(F)c1F)N[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C13H15F3N2O2/c14-8-2-1-7(12(15)13(8)16)5-11(20)18-9-3-4-17-6-10(9)19/h1-2,9-10,17,19H,3-6H2,(H,18,20)/t9-,10-/m1/s1
InChIKeyVLUGOUVIJNEEGF-NXEZZACHSA-N
XLogP0.49
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione
CID 6951076
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(2S)-1-hydroxyhexan-2-yl]propanamide
CID 44334051
(R)-3-amino-4-(2,5-difluorophenyl)-1-((S)-2-(hydroxymethyl)pyrrolidin-1-yl)butan-1-one
CID 44561118
(R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(hydroxymethyl)piperazin-2-one
CID 54583546
N-(2-hydroxyethyl)-2-phenylacetamide
CID 80449
5-[2-(4-Fluorophenyl)ethyl]-3-hydroxypiperidin-2-one
CID 121493753
5-[2-(3-Fluorophenyl)ethyl]-3-hydroxypiperidin-2-one
CID 121493754
5-[2-(2-Fluorophenyl)ethyl]-3-hydroxypiperidin-2-one
CID 121493755
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 44334448
N-(1,3-dihydroxypropan-2-yl)-2-phenylacetamide
CID 44434891
4,4-bis(4-fluorophenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]butanamide;hydrochloride
CID 11154875
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(2R)-1-hydroxyhexan-2-yl]propanamide
CID 44334088

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2,3,4-trifluorophenyl)acetamide (CID 70784817) is N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2,3,4-trifluorophenyl)acetamide is O=C(Cc1ccc(F)c(F)c1F)N[C@@H]1CCNC[C@H]1O.
What is the InChIKey of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is VLUGOUVIJNEEGF-NXEZZACHSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-8-2-1-7(12(15)13(8)16)5-11(20)18-9-3-4-17-6-10(9)19/h1-2,9-10,17,19H,3-6H2,(H,18,20)/t9-,10-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2,3,4-trifluorophenyl)acetamide?
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 288.27 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 70784817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).