(2R,3R)-2-hydroxy-3-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide

C17H21F3N2O3 — CID 162583231

IUPAC(2R,3R)-2-hydroxy-3-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide
SMILESC[C@@H](C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1)[C@@H](O)C(N)=O
InChIInChI=1S/C17H21F3N2O3/c1-10(14(23)15(21)24)16(25)22-8-6-12(7-9-22)11-2-4-13(5-3-11)17(18,19)20/h2-5,10,12,14,23H,6-9H2,1H3,(H2,21,24)/t10-,14-/m1/s1
InChIKeyYDOHIHKYZSFOQZ-QMTHXVAHSA-N
MW358.36 g/mol
LogP1.89
Rot. Bonds4

About (2R,3R)-2-hydroxy-3-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide

(2R,3R)-2-hydroxy-3-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide (PubChem CID 162583231) has the molecular formula C17H21F3N2O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is (2R,3R)-2-hydroxy-3-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide.

Molecular Properties

Compound Name(2R,3R)-2-hydroxy-3-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide
PubChem CID162583231
Molecular FormulaC17H21F3N2O3
Molecular Weight358.36 g/mol
Exact Mass358.15
IUPAC Name(2R,3R)-2-hydroxy-3-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide
SMILESC[C@@H](C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1)[C@@H](O)C(N)=O
InChIInChI=1S/C17H21F3N2O3/c1-10(14(23)15(21)24)16(25)22-8-6-12(7-9-22)11-2-4-13(5-3-11)17(18,19)20/h2-5,10,12,14,23H,6-9H2,1H3,(H2,21,24)/t10-,14-/m1/s1
InChIKeyYDOHIHKYZSFOQZ-QMTHXVAHSA-N
XLogP1.89
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-1-[4-[4-(1,1-difluoroethyl)phenyl]piperidin-1-yl]-3-hydroxy-2-methyl-4-pyrrolidin-1-ylbutane-1,4-dione
CID 143478549
3-amino-1-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 120874023
N-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 124847088
2-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]sulfanylacetic acid
CID 120551044
3-[1-oxo-1-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-2-yl]benzonitrile
CID 167935858
[(2S,4S)-2-methylpiperidin-4-yl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;hydrochloride
CID 120641199
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propan-1-one;hydrochloride
CID 119410179
(4,4-difluoropyrrolidin-2-yl)-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 120955413
2-amino-1-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-methylbutan-1-one
CID 110481433
1-[1-(4-methylphenyl)ethenyl]-4-[4-(trifluoromethyl)phenyl]piperidine
CID 156560783
(2R)-2-amino-1-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-one
CID 119322388
1-[1-(1-tert-butylpyrrolidin-3-yl)ethenyl]-4-[4-(trifluoromethyl)phenyl]piperidine
CID 126749255

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-hydroxy-3-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide?
The IUPAC name of (2R,3R)-2-hydroxy-3-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide (CID 162583231) is (2R,3R)-2-hydroxy-3-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide.
What is the SMILES notation for (2R,3R)-2-hydroxy-3-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide?
The canonical SMILES for (2R,3R)-2-hydroxy-3-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide is C[C@@H](C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1)[C@@H](O)C(N)=O.
What is the InChIKey of (2R,3R)-2-hydroxy-3-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide?
The InChIKey is YDOHIHKYZSFOQZ-QMTHXVAHSA-N. The full InChI is InChI=1S/C17H21F3N2O3/c1-10(14(23)15(21)24)16(25)22-8-6-12(7-9-22)11-2-4-13(5-3-11)17(18,19)20/h2-5,10,12,14,23H,6-9H2,1H3,(H2,21,24)/t10-,14-/m1/s1.
What are the key properties of (2R,3R)-2-hydroxy-3-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide?
(2R,3R)-2-hydroxy-3-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide has a molecular weight of 358.36 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-hydroxy-3-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide is sourced from PubChem (CID 162583231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).