2-[(2R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]acetamide

C17H21F3N2O2 — CID 95615420

IUPAC2-[(2R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]acetamide
SMILESNC(=O)C[C@H]1CCCCN1C(=O)CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)13-7-4-12(5-8-13)6-9-16(24)22-10-2-1-3-14(22)11-15(21)23/h4-5,7-8,14H,1-3,6,9-11H2,(H2,21,23)/t14-/m1/s1
InChIKeyAZRSUABWFGFTLW-CQSZACIVSA-N
MW342.36 g/mol
LogP2.89
Rot. Bonds5

About 2-[(2R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]acetamide

2-[(2R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]acetamide (PubChem CID 95615420) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-[(2R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]acetamide
PubChem CID95615420
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name2-[(2R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]acetamide
SMILESNC(=O)C[C@H]1CCCCN1C(=O)CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)13-7-4-12(5-8-13)6-9-16(24)22-10-2-1-3-14(22)11-15(21)23/h4-5,7-8,14H,1-3,6,9-11H2,(H2,21,23)/t14-/m1/s1
InChIKeyAZRSUABWFGFTLW-CQSZACIVSA-N
XLogP2.89
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]acetic acid
CID 61010514
1-[3-[4-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-2-carboxylic acid
CID 119355979
2-[(2S)-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-2-yl]acetamide
CID 95330469
4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzoic acid
CID 82071367
3-(4-fluorophenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 60743171
N-[[1-[3-(4-tert-butylphenyl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 55678133
1-[2-(aminomethyl)piperidin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one
CID 119469653
1-[2-(aminomethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone;hydrochloride
CID 119468531
(2S)-1-[4-oxo-6-[4-(trifluoromethyl)phenyl]hexanoyl]pyrrolidine-2-carboxylic acid
CID 67909577
1-(4-hydroxypiperidin-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 111108326
(3R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-3-carboxylic acid
CID 124576632
2-[1-[3-chloro-5-(trifluoromethyl)benzoyl]piperidin-2-yl]acetamide
CID 91649837

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]acetamide?
The IUPAC name of 2-[(2R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]acetamide (CID 95615420) is 2-[(2R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]acetamide?
The canonical SMILES for 2-[(2R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]acetamide is NC(=O)C[C@H]1CCCCN1C(=O)CCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[(2R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]acetamide?
The InChIKey is AZRSUABWFGFTLW-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c18-17(19,20)13-7-4-12(5-8-13)6-9-16(24)22-10-2-1-3-14(22)11-15(21)23/h4-5,7-8,14H,1-3,6,9-11H2,(H2,21,23)/t14-/m1/s1.
What are the key properties of 2-[(2R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]acetamide?
2-[(2R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]acetamide has a molecular weight of 342.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]acetamide is sourced from PubChem (CID 95615420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).