[(2S)-oxolan-2-yl]-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone

C17H19F3N2O3 — CID 7346665

IUPAC[(2S)-oxolan-2-yl]-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C17H19F3N2O3/c18-17(19,20)13-4-1-3-12(11-13)15(23)21-6-8-22(9-7-21)16(24)14-5-2-10-25-14/h1,3-4,11,14H,2,5-10H2/t14-/m0/s1
InChIKeyDMBNTIMJXGAOKB-AWEZNQCLSA-N
MW356.34 g/mol
LogP2.17
Rot. Bonds2

About [(2S)-oxolan-2-yl]-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone

[(2S)-oxolan-2-yl]-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone (PubChem CID 7346665) has the molecular formula C17H19F3N2O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
PubChem CID7346665
Molecular FormulaC17H19F3N2O3
Molecular Weight356.34 g/mol
Exact Mass356.13
IUPAC Name[(2S)-oxolan-2-yl]-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C17H19F3N2O3/c18-17(19,20)13-4-1-3-12(11-13)15(23)21-6-8-22(9-7-21)16(24)14-5-2-10-25-14/h1,3-4,11,14H,2,5-10H2/t14-/m0/s1
InChIKeyDMBNTIMJXGAOKB-AWEZNQCLSA-N
XLogP2.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 51968428
[(2R)-oxolan-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 1222722
[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 108547614
4-[(2R)-oxolane-2-carbonyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
CID 1312416
N-[3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide
CID 55347361
6-methyl-3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 55395568
pyrrolidin-3-yl-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
CID 119720576
[4-(3-nitrobenzoyl)-1,4-diazepan-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95317819
[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 125021815
3-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 42240852
[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 55344290
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51162607

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone?
The IUPAC name of [(2S)-oxolan-2-yl]-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone (CID 7346665) is [(2S)-oxolan-2-yl]-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone.
What is the SMILES notation for [(2S)-oxolan-2-yl]-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone?
The canonical SMILES for [(2S)-oxolan-2-yl]-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone is O=C(c1cccc(C(F)(F)F)c1)N1CCN(C(=O)[C@@H]2CCCO2)CC1.
What is the InChIKey of [(2S)-oxolan-2-yl]-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone?
The InChIKey is DMBNTIMJXGAOKB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19F3N2O3/c18-17(19,20)13-4-1-3-12(11-13)15(23)21-6-8-22(9-7-21)16(24)14-5-2-10-25-14/h1,3-4,11,14H,2,5-10H2/t14-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone?
[(2S)-oxolan-2-yl]-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone has a molecular weight of 356.34 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone is sourced from PubChem (CID 7346665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).