N-[(3R,4R)-3-hydroxy-4-phenyl-1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-3-methylbenzamide

C22H23F3N2O3 — CID 171908992

IUPACN-[(3R,4R)-3-hydroxy-4-phenyl-1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@@]2(c3ccccc3)CCN(C(=O)CC(F)(F)F)C[C@H]2O)c1
InChIInChI=1S/C22H23F3N2O3/c1-15-6-5-7-16(12-15)20(30)26-21(17-8-3-2-4-9-17)10-11-27(14-18(21)28)19(29)13-22(23,24)25/h2-9,12,18,28H,10-11,13-14H2,1H3,(H,26,30)/t18-,21-/m1/s1
InChIKeyIDBTUDREEKKWPG-WIYYLYMNSA-N
MW420.43 g/mol
LogP3.17
Rot. Bonds4

About N-[(3R,4R)-3-hydroxy-4-phenyl-1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-3-methylbenzamide

N-[(3R,4R)-3-hydroxy-4-phenyl-1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-3-methylbenzamide (PubChem CID 171908992) has the molecular formula C22H23F3N2O3 and a molecular weight of 420.43 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxy-4-phenyl-1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxy-4-phenyl-1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-3-methylbenzamide
PubChem CID171908992
Molecular FormulaC22H23F3N2O3
Molecular Weight420.43 g/mol
Exact Mass420.17
IUPAC NameN-[(3R,4R)-3-hydroxy-4-phenyl-1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@@]2(c3ccccc3)CCN(C(=O)CC(F)(F)F)C[C@H]2O)c1
InChIInChI=1S/C22H23F3N2O3/c1-15-6-5-7-16(12-15)20(30)26-21(17-8-3-2-4-9-17)10-11-27(14-18(21)28)19(29)13-22(23,24)25/h2-9,12,18,28H,10-11,13-14H2,1H3,(H,26,30)/t18-,21-/m1/s1
InChIKeyIDBTUDREEKKWPG-WIYYLYMNSA-N
XLogP3.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(3R,4S)-3-hydroxy-1-(2-methylsulfanylacetyl)-4-phenylpiperidin-4-yl]furan-2-carboxamide
CID 171906812
N-[(3R,4S)-3-hydroxy-1-(2-methylsulfanylacetyl)-4-phenylpiperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 171906999
N-[(3R,4S)-3-hydroxy-1-(5-methylpyridine-3-carbonyl)-4-phenylpiperidin-4-yl]oxane-4-carboxamide
CID 171915150
2-(3-fluoro-4-methylphenyl)-N-[(3R,4S)-3-hydroxy-1-(1,3-oxazole-4-carbonyl)-4-phenylpiperidin-4-yl]acetamide
CID 171915268
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-methylbenzamide
CID 46378991
3-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 17018957
1-[(3aR,7aS)-7a-phenyl-2-prop-2-enyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-5-yl]-3,3,3-trifluoropropan-1-one
CID 97404169
2-[(3-methylphenyl)methyl]-7-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131642620
3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 28709214
5-fluoro-N-[(3R,4R)-3-hydroxy-1-[(1-methylpyrazol-4-yl)methyl]-4-phenylpiperidin-4-yl]pyridine-3-carboxamide
CID 172668056
N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide
CID 62520382
N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-3-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxy-4-phenyl-1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-3-methylbenzamide?
The IUPAC name of N-[(3R,4R)-3-hydroxy-4-phenyl-1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-3-methylbenzamide (CID 171908992) is N-[(3R,4R)-3-hydroxy-4-phenyl-1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-3-methylbenzamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxy-4-phenyl-1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-3-methylbenzamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxy-4-phenyl-1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-3-methylbenzamide is Cc1cccc(C(=O)N[C@@]2(c3ccccc3)CCN(C(=O)CC(F)(F)F)C[C@H]2O)c1.
What is the InChIKey of N-[(3R,4R)-3-hydroxy-4-phenyl-1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-3-methylbenzamide?
The InChIKey is IDBTUDREEKKWPG-WIYYLYMNSA-N. The full InChI is InChI=1S/C22H23F3N2O3/c1-15-6-5-7-16(12-15)20(30)26-21(17-8-3-2-4-9-17)10-11-27(14-18(21)28)19(29)13-22(23,24)25/h2-9,12,18,28H,10-11,13-14H2,1H3,(H,26,30)/t18-,21-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxy-4-phenyl-1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-3-methylbenzamide?
N-[(3R,4R)-3-hydroxy-4-phenyl-1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-3-methylbenzamide has a molecular weight of 420.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxy-4-phenyl-1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-3-methylbenzamide is sourced from PubChem (CID 171908992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).