(4-cyclopropylpiperazin-1-yl)-(3,4,5-trifluorophenyl)methanone

C14H15F3N2O — CID 63188677

IUPAC(4-cyclopropylpiperazin-1-yl)-(3,4,5-trifluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)c(F)c1)N1CCN(C2CC2)CC1
InChIInChI=1S/C14H15F3N2O/c15-11-7-9(8-12(16)13(11)17)14(20)19-5-3-18(4-6-19)10-1-2-10/h7-8,10H,1-6H2
InChIKeyQYKSPQLEBDJHFH-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.02
Rot. Bonds2

About (4-cyclopropylpiperazin-1-yl)-(3,4,5-trifluorophenyl)methanone

(4-cyclopropylpiperazin-1-yl)-(3,4,5-trifluorophenyl)methanone (PubChem CID 63188677) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is (4-cyclopropylpiperazin-1-yl)-(3,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name(4-cyclopropylpiperazin-1-yl)-(3,4,5-trifluorophenyl)methanone
PubChem CID63188677
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name(4-cyclopropylpiperazin-1-yl)-(3,4,5-trifluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)c(F)c1)N1CCN(C2CC2)CC1
InChIInChI=1S/C14H15F3N2O/c15-11-7-9(8-12(16)13(11)17)14(20)19-5-3-18(4-6-19)10-1-2-10/h7-8,10H,1-6H2
InChIKeyQYKSPQLEBDJHFH-UHFFFAOYSA-N
XLogP2.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 95759043
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 95759040
2-oxo-2-[4-(3,4,5-trifluorobenzoyl)piperazin-1-yl]acetamide
CID 67547799
(4-amino-3,5-dichlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 82833278
(4-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 63188938
(4-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 63189041
2-(3,4,5-trifluorobenzoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856892
(4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110708525
(4-cyclopropylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 35280934
1-(3,4,5-trifluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 55160200
(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 764831
(4-cyclopentylpiperazin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 121184691

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylpiperazin-1-yl)-(3,4,5-trifluorophenyl)methanone?
The IUPAC name of (4-cyclopropylpiperazin-1-yl)-(3,4,5-trifluorophenyl)methanone (CID 63188677) is (4-cyclopropylpiperazin-1-yl)-(3,4,5-trifluorophenyl)methanone.
What is the SMILES notation for (4-cyclopropylpiperazin-1-yl)-(3,4,5-trifluorophenyl)methanone?
The canonical SMILES for (4-cyclopropylpiperazin-1-yl)-(3,4,5-trifluorophenyl)methanone is O=C(c1cc(F)c(F)c(F)c1)N1CCN(C2CC2)CC1.
What is the InChIKey of (4-cyclopropylpiperazin-1-yl)-(3,4,5-trifluorophenyl)methanone?
The InChIKey is QYKSPQLEBDJHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c15-11-7-9(8-12(16)13(11)17)14(20)19-5-3-18(4-6-19)10-1-2-10/h7-8,10H,1-6H2.
What are the key properties of (4-cyclopropylpiperazin-1-yl)-(3,4,5-trifluorophenyl)methanone?
(4-cyclopropylpiperazin-1-yl)-(3,4,5-trifluorophenyl)methanone has a molecular weight of 284.28 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylpiperazin-1-yl)-(3,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 63188677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).