(3-cyclopropylthiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C14H17F3N2OS — CID 71936602

IUPAC(3-cyclopropylthiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESO=C(c1sccc1C1CC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H17F3N2OS/c15-14(16,17)9-18-4-6-19(7-5-18)13(20)12-11(3-8-21-12)10-1-2-10/h3,8,10H,1-2,4-7,9H2
InChIKeyOKBSQCXXVZVRRM-UHFFFAOYSA-N
MW318.36 g/mol
LogP2.95
Rot. Bonds3

About (3-cyclopropylthiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

(3-cyclopropylthiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 71936602) has the molecular formula C14H17F3N2OS and a molecular weight of 318.36 g/mol. Its IUPAC name is (3-cyclopropylthiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropylthiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID71936602
Molecular FormulaC14H17F3N2OS
Molecular Weight318.36 g/mol
Exact Mass318.10
IUPAC Name(3-cyclopropylthiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESO=C(c1sccc1C1CC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H17F3N2OS/c15-14(16,17)9-18-4-6-19(7-5-18)13(20)12-11(3-8-21-12)10-1-2-10/h3,8,10H,1-2,4-7,9H2
InChIKeyOKBSQCXXVZVRRM-UHFFFAOYSA-N
XLogP2.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Benzylpiperazinyl 2-thienyl ketone
CID 757483
1-(2-Phenylethyl)-4-(2-thienylcarbonyl)piperazine
CID 1246520
5-methyl-N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide
CID 24982119
N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide
CID 25162796
4-((2E)-3-phenylprop-2-enyl)piperazinyl 2-thienyl ketone
CID 752925
1-(Phenylacetyl)-4-(2-thienylcarbonyl)piperazine
CID 650106
(5-methylthiophen-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 1247773
3-Phenyl-1-(2-thienylcarbonyl)piperidine
CID 2893479
(4-Methyl-2-thienyl)[4-(2,2,2-trifluoroethyl)-1-piperazinyl]methanone
CID 49718439
(4-Methylpiperazin-1-yl)(5-methylthiophen-3-yl)methanone
CID 17250257
3-Cyclopentyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
CID 717199
Cyclohexyl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 2818006

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylthiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of (3-cyclopropylthiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 71936602) is (3-cyclopropylthiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-cyclopropylthiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-cyclopropylthiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is O=C(c1sccc1C1CC1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of (3-cyclopropylthiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is OKBSQCXXVZVRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2OS/c15-14(16,17)9-18-4-6-19(7-5-18)13(20)12-11(3-8-21-12)10-1-2-10/h3,8,10H,1-2,4-7,9H2.
What are the key properties of (3-cyclopropylthiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
(3-cyclopropylthiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 318.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylthiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71936602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).