(5R)-5-[(3S)-3-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carbonyl]-1,3-oxazepan-2-one

C19H23F3N2O3 — CID 174088177

IUPAC(5R)-5-[(3S)-3-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carbonyl]-1,3-oxazepan-2-one
SMILESO=C1NC[C@H](C(=O)N2CCC[C@@H](Cc3ccc(C(F)(F)F)cc3)C2)CCO1
InChIInChI=1S/C19H23F3N2O3/c20-19(21,22)16-5-3-13(4-6-16)10-14-2-1-8-24(12-14)17(25)15-7-9-27-18(26)23-11-15/h3-6,14-15H,1-2,7-12H2,(H,23,26)/t14-,15+/m0/s1
InChIKeyAQFILBNBIIZGPA-LSDHHAIUSA-N
MW384.40 g/mol
LogP3.23
Rot. Bonds3

About (5R)-5-[(3S)-3-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carbonyl]-1,3-oxazepan-2-one

(5R)-5-[(3S)-3-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carbonyl]-1,3-oxazepan-2-one (PubChem CID 174088177) has the molecular formula C19H23F3N2O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is (5R)-5-[(3S)-3-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carbonyl]-1,3-oxazepan-2-one.

Molecular Properties

Compound Name(5R)-5-[(3S)-3-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carbonyl]-1,3-oxazepan-2-one
PubChem CID174088177
Molecular FormulaC19H23F3N2O3
Molecular Weight384.40 g/mol
Exact Mass384.17
IUPAC Name(5R)-5-[(3S)-3-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carbonyl]-1,3-oxazepan-2-one
SMILESO=C1NC[C@H](C(=O)N2CCC[C@@H](Cc3ccc(C(F)(F)F)cc3)C2)CCO1
InChIInChI=1S/C19H23F3N2O3/c20-19(21,22)16-5-3-13(4-6-16)10-14-2-1-8-24(12-14)17(25)15-7-9-27-18(26)23-11-15/h3-6,14-15H,1-2,7-12H2,(H,23,26)/t14-,15+/m0/s1
InChIKeyAQFILBNBIIZGPA-LSDHHAIUSA-N
XLogP3.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5R)-5-[(3S)-3-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carbonyl]-1,3-oxazepan-2-one with MolForge

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Related Compounds

4-(3-benzylpiperidine-1-carbonyl)piperidin-2-one
CID 136514886
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 71789515
[(1R,2R)-2-aminocyclohexyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 59102662
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 71789407
1-(3-aminopiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 62048675
1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene
CID 67129674
cyclobutyl-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97133116
3-[1-(6-oxopiperidine-3-carbonyl)piperidin-3-yl]propanoic acid
CID 83193168
2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 119395730
oxan-4-yl-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 95845794
(3R)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid
CID 124699963
(4,4-difluorocyclohexyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 175652412

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(3S)-3-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carbonyl]-1,3-oxazepan-2-one?
The IUPAC name of (5R)-5-[(3S)-3-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carbonyl]-1,3-oxazepan-2-one (CID 174088177) is (5R)-5-[(3S)-3-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carbonyl]-1,3-oxazepan-2-one.
What is the SMILES notation for (5R)-5-[(3S)-3-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carbonyl]-1,3-oxazepan-2-one?
The canonical SMILES for (5R)-5-[(3S)-3-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carbonyl]-1,3-oxazepan-2-one is O=C1NC[C@H](C(=O)N2CCC[C@@H](Cc3ccc(C(F)(F)F)cc3)C2)CCO1.
What is the InChIKey of (5R)-5-[(3S)-3-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carbonyl]-1,3-oxazepan-2-one?
The InChIKey is AQFILBNBIIZGPA-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H23F3N2O3/c20-19(21,22)16-5-3-13(4-6-16)10-14-2-1-8-24(12-14)17(25)15-7-9-27-18(26)23-11-15/h3-6,14-15H,1-2,7-12H2,(H,23,26)/t14-,15+/m0/s1.
What are the key properties of (5R)-5-[(3S)-3-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carbonyl]-1,3-oxazepan-2-one?
(5R)-5-[(3S)-3-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carbonyl]-1,3-oxazepan-2-one has a molecular weight of 384.40 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(3S)-3-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carbonyl]-1,3-oxazepan-2-one is sourced from PubChem (CID 174088177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).