4-[(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]piperazin-2-one

C15H15F3N2O3 — CID 100663278

IUPAC4-[(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)CCN1
InChIInChI=1S/C15H15F3N2O3/c16-15(17,18)23-10-3-1-9(2-4-10)11-7-12(11)14(22)20-6-5-19-13(21)8-20/h1-4,11-12H,5-8H2,(H,19,21)/t11-,12+/m0/s1
InChIKeyWOMBHWFCPNTQHG-NWDGAFQWSA-N
MW328.29 g/mol
LogP1.65
Rot. Bonds3

About 4-[(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]piperazin-2-one

4-[(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]piperazin-2-one (PubChem CID 100663278) has the molecular formula C15H15F3N2O3 and a molecular weight of 328.29 g/mol. Its IUPAC name is 4-[(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]piperazin-2-one
PubChem CID100663278
Molecular FormulaC15H15F3N2O3
Molecular Weight328.29 g/mol
Exact Mass328.10
IUPAC Name4-[(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)CCN1
InChIInChI=1S/C15H15F3N2O3/c16-15(17,18)23-10-3-1-9(2-4-10)11-7-12(11)14(22)20-6-5-19-13(21)8-20/h1-4,11-12H,5-8H2,(H,19,21)/t11-,12+/m0/s1
InChIKeyWOMBHWFCPNTQHG-NWDGAFQWSA-N
XLogP1.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid
CID 51888095
4-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperazin-2-one
CID 60656740
4-[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropanecarbonyl]piperazin-2-one
CID 97010771
4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-2-one
CID 133488279
2-(4-chlorophenoxy)-1-[4-[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 51896760
6-(3-oxopiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 16774433
4-(2,2,2-trifluoroacetyl)piperazin-2-one
CID 62733743
(7R)-1-[(1R,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]-7-phenyl-1,4-diazepan-5-one
CID 95283420
[(1R,2S)-2-(4-bromophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 51893754
4-[4-(trifluoromethoxy)benzoyl]piperazine-2,6-dione
CID 66084388
(7R)-5-oxo-7-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,4-diazepane-1-carboxamide
CID 95140593
[(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone
CID 51893718

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]piperazin-2-one?
The IUPAC name of 4-[(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]piperazin-2-one (CID 100663278) is 4-[(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]piperazin-2-one.
What is the SMILES notation for 4-[(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]piperazin-2-one?
The canonical SMILES for 4-[(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]piperazin-2-one is O=C1CN(C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)CCN1.
What is the InChIKey of 4-[(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]piperazin-2-one?
The InChIKey is WOMBHWFCPNTQHG-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H15F3N2O3/c16-15(17,18)23-10-3-1-9(2-4-10)11-7-12(11)14(22)20-6-5-19-13(21)8-20/h1-4,11-12H,5-8H2,(H,19,21)/t11-,12+/m0/s1.
What are the key properties of 4-[(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]piperazin-2-one?
4-[(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]piperazin-2-one has a molecular weight of 328.29 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]piperazin-2-one is sourced from PubChem (CID 100663278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).