(3R)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide

C10H15F3N2O3 — CID 171676562

IUPAC(3R)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide
SMILESCN1CCC[C@H](NC(=O)C[C@@H](O)C(F)(F)F)C1=O
InChIInChI=1S/C10H15F3N2O3/c1-15-4-2-3-6(9(15)18)14-8(17)5-7(16)10(11,12)13/h6-7,16H,2-5H2,1H3,(H,14,17)/t6-,7+/m0/s1
InChIKeyJFIVWLKEKPVOOW-NKWVEPMBSA-N
MW268.23 g/mol
LogP0.04
Rot. Bonds3

About (3R)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide

(3R)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide (PubChem CID 171676562) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is (3R)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide.

Molecular Properties

Compound Name(3R)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide
PubChem CID171676562
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name(3R)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide
SMILESCN1CCC[C@H](NC(=O)C[C@@H](O)C(F)(F)F)C1=O
InChIInChI=1S/C10H15F3N2O3/c1-15-4-2-3-6(9(15)18)14-8(17)5-7(16)10(11,12)13/h6-7,16H,2-5H2,1H3,(H,14,17)/t6-,7+/m0/s1
InChIKeyJFIVWLKEKPVOOW-NKWVEPMBSA-N
XLogP0.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide with MolForge

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Related Compounds

2-chloro-N-(1-methyl-2-oxopiperidin-3-yl)acetamide
CID 131107119
(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide
CID 97250457
N-(1-methyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide
CID 119782040
N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]acetamide
CID 95932398
3-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-sulfanylidenepropanamide
CID 106256271
tert-butyl N-[(1-methyl-2-oxopiperidin-3-yl)amino]carbamate
CID 174587021
2-(butan-2-ylamino)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 106256004
5-hydroxy-N-(1-methyl-2-oxopyrrolidin-3-yl)pentanamide
CID 106259293
1-tert-butyl-N-(1-methyl-2-oxopiperidin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 139008217
benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate
CID 58782089
2-hydroxy-2-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)propanamide
CID 106509766
N-(1-methyl-2-oxopyrrolidin-3-yl)-2-piperidin-3-ylacetamide
CID 106256007

Frequently Asked Questions

What is the IUPAC name of (3R)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide?
The IUPAC name of (3R)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide (CID 171676562) is (3R)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide.
What is the SMILES notation for (3R)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide?
The canonical SMILES for (3R)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide is CN1CCC[C@H](NC(=O)C[C@@H](O)C(F)(F)F)C1=O.
What is the InChIKey of (3R)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide?
The InChIKey is JFIVWLKEKPVOOW-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-15-4-2-3-6(9(15)18)14-8(17)5-7(16)10(11,12)13/h6-7,16H,2-5H2,1H3,(H,14,17)/t6-,7+/m0/s1.
What are the key properties of (3R)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide?
(3R)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide has a molecular weight of 268.23 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-1-methyl-2-oxopiperidin-3-yl]butanamide is sourced from PubChem (CID 171676562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).