(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-(4-piperidin-4-ylbutan-2-yl)propanamide

C19H27F3N2O3 — CID 142321476

IUPAC(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-(4-piperidin-4-ylbutan-2-yl)propanamide
SMILESCOc1cccc([C@@](O)(C(=O)NC(C)CCC2CCNCC2)C(F)(F)F)c1
InChIInChI=1S/C19H27F3N2O3/c1-13(6-7-14-8-10-23-11-9-14)24-17(25)18(26,19(20,21)22)15-4-3-5-16(12-15)27-2/h3-5,12-14,23,26H,6-11H2,1-2H3,(H,24,25)/t13?,18-/m1/s1
InChIKeyMZNCANPSGFWSSM-PQJIZZRHSA-N
MW388.43 g/mol
LogP2.73
Rot. Bonds7

About (2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-(4-piperidin-4-ylbutan-2-yl)propanamide

(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-(4-piperidin-4-ylbutan-2-yl)propanamide (PubChem CID 142321476) has the molecular formula C19H27F3N2O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-(4-piperidin-4-ylbutan-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-(4-piperidin-4-ylbutan-2-yl)propanamide
PubChem CID142321476
Molecular FormulaC19H27F3N2O3
Molecular Weight388.43 g/mol
Exact Mass388.20
IUPAC Name(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-(4-piperidin-4-ylbutan-2-yl)propanamide
SMILESCOc1cccc([C@@](O)(C(=O)NC(C)CCC2CCNCC2)C(F)(F)F)c1
InChIInChI=1S/C19H27F3N2O3/c1-13(6-7-14-8-10-23-11-9-14)24-17(25)18(26,19(20,21)22)15-4-3-5-16(12-15)27-2/h3-5,12-14,23,26H,6-11H2,1-2H3,(H,24,25)/t13?,18-/m1/s1
InChIKeyMZNCANPSGFWSSM-PQJIZZRHSA-N
XLogP2.73
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methyl-N-[3-(piperidin-4-ylmethyl)cyclobutyl]propanamide
CID 134439251
(2R)-N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide
CID 142324962
[3-(trifluoromethyl)phenyl] 3-piperidin-4-ylpropanoate
CID 117125836
N-butan-2-yl-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide
CID 134439236
tert-butyl 4-[2-[1-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]cyclopropyl]ethyl]piperidine-1-carboxylate
CID 134439254
3-(3-methoxyphenyl)-3-[[2-[[4-piperidin-4-yl-2-(2-piperidin-4-ylethyl)butanoyl]amino]acetyl]amino]propanoic acid
CID 18330229
3,3,3-trifluoro-2-(3-methoxyphenyl)-N-[1-(2-piperidin-4-ylethyl)cyclopropyl]propanamide
CID 142324853
N-butan-2-yl-2-ethyl-2-(3-methoxyphenyl)butanamide
CID 172775703
4-[2-(3-methoxyphenoxy)ethyl]piperidine
CID 26192450
(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
CID 166750619
2-chloro-N,N-dimethyl-6-[4-[3-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]propyl]piperidin-1-ium-1-yl]pyridine-3-carboxamide
CID 142321242
2-chloro-N-methyl-N-propan-2-yl-4-[(3R)-3-[2-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]ethyl]-7-azaspiro[3.5]nonan-7-yl]benzamide
CID 134437299

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-(4-piperidin-4-ylbutan-2-yl)propanamide?
The IUPAC name of (2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-(4-piperidin-4-ylbutan-2-yl)propanamide (CID 142321476) is (2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-(4-piperidin-4-ylbutan-2-yl)propanamide.
What is the SMILES notation for (2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-(4-piperidin-4-ylbutan-2-yl)propanamide?
The canonical SMILES for (2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-(4-piperidin-4-ylbutan-2-yl)propanamide is COc1cccc([C@@](O)(C(=O)NC(C)CCC2CCNCC2)C(F)(F)F)c1.
What is the InChIKey of (2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-(4-piperidin-4-ylbutan-2-yl)propanamide?
The InChIKey is MZNCANPSGFWSSM-PQJIZZRHSA-N. The full InChI is InChI=1S/C19H27F3N2O3/c1-13(6-7-14-8-10-23-11-9-14)24-17(25)18(26,19(20,21)22)15-4-3-5-16(12-15)27-2/h3-5,12-14,23,26H,6-11H2,1-2H3,(H,24,25)/t13?,18-/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-(4-piperidin-4-ylbutan-2-yl)propanamide?
(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-(4-piperidin-4-ylbutan-2-yl)propanamide has a molecular weight of 388.43 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-(4-piperidin-4-ylbutan-2-yl)propanamide is sourced from PubChem (CID 142321476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).