N-[(1S)-3-oxo-1-phenyl-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propyl]acetamide

C17H21F3N2O2 — CID 36940029

IUPACN-[(1S)-3-oxo-1-phenyl-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propyl]acetamide
SMILESCC(=O)N[C@@H](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1
InChIInChI=1S/C17H21F3N2O2/c1-12(23)21-15(13-6-3-2-4-7-13)10-16(24)22-9-5-8-14(11-22)17(18,19)20/h2-4,6-7,14-15H,5,8-11H2,1H3,(H,21,23)/t14-,15+/m1/s1
InChIKeyITLUOHCIANZPRI-CABCVRRESA-N
MW342.36 g/mol
LogP3.05
Rot. Bonds4

About N-[(1S)-3-oxo-1-phenyl-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propyl]acetamide

N-[(1S)-3-oxo-1-phenyl-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propyl]acetamide (PubChem CID 36940029) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[(1S)-3-oxo-1-phenyl-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-3-oxo-1-phenyl-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propyl]acetamide
PubChem CID36940029
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC NameN-[(1S)-3-oxo-1-phenyl-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propyl]acetamide
SMILESCC(=O)N[C@@H](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1
InChIInChI=1S/C17H21F3N2O2/c1-12(23)21-15(13-6-3-2-4-7-13)10-16(24)22-9-5-8-14(11-22)17(18,19)20/h2-4,6-7,14-15H,5,8-11H2,1H3,(H,21,23)/t14-,15+/m1/s1
InChIKeyITLUOHCIANZPRI-CABCVRRESA-N
XLogP3.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-oxo-1-phenylpropyl]acetamide
CID 11938692
(3R)-1-[(3S)-3-acetamido-3-phenylpropanoyl]pyrrolidine-3-carboxylic acid
CID 124682101
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide;hydrochloride
CID 119411136
N-[3-[3-(aminomethyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 119485084
N-[(1S)-3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 26755539
N-[1-(4-chlorophenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide
CID 119491794
N-[3-[3-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 119490077
N-[3-[4-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]acetamide;hydrochloride
CID 119561695
N-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 42904870
2,2,2-trifluoro-N-(3-oxo-1-phenyl-3-piperidin-1-ylpropyl)acetamide
CID 51063364
(3S)-1-[3-acetamido-3-(4-bromophenyl)propanoyl]piperidine-3-carboxylic acid
CID 120514247
N-[1-(3-chlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 110676816

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-oxo-1-phenyl-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propyl]acetamide?
The IUPAC name of N-[(1S)-3-oxo-1-phenyl-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propyl]acetamide (CID 36940029) is N-[(1S)-3-oxo-1-phenyl-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propyl]acetamide.
What is the SMILES notation for N-[(1S)-3-oxo-1-phenyl-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propyl]acetamide?
The canonical SMILES for N-[(1S)-3-oxo-1-phenyl-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propyl]acetamide is CC(=O)N[C@@H](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1.
What is the InChIKey of N-[(1S)-3-oxo-1-phenyl-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propyl]acetamide?
The InChIKey is ITLUOHCIANZPRI-CABCVRRESA-N. The full InChI is InChI=1S/C17H21F3N2O2/c1-12(23)21-15(13-6-3-2-4-7-13)10-16(24)22-9-5-8-14(11-22)17(18,19)20/h2-4,6-7,14-15H,5,8-11H2,1H3,(H,21,23)/t14-,15+/m1/s1.
What are the key properties of N-[(1S)-3-oxo-1-phenyl-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propyl]acetamide?
N-[(1S)-3-oxo-1-phenyl-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propyl]acetamide has a molecular weight of 342.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-oxo-1-phenyl-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propyl]acetamide is sourced from PubChem (CID 36940029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).