(4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-1H-indol-2-yl]methanone

C15H16F3N3O — CID 10018335

IUPAC(4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-1H-indol-2-yl]methanone
SMILESCN1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1
InChIInChI=1S/C15H16F3N3O/c1-20-4-6-21(7-5-20)14(22)13-9-10-8-11(15(16,17)18)2-3-12(10)19-13/h2-3,8-9,19H,4-7H2,1H3
InChIKeyRJTNRVNBDUTWPV-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.57
Rot. Bonds1

About (4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-1H-indol-2-yl]methanone

(4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-1H-indol-2-yl]methanone (PubChem CID 10018335) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-1H-indol-2-yl]methanone
PubChem CID10018335
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name(4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-1H-indol-2-yl]methanone
SMILESCN1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1
InChIInChI=1S/C15H16F3N3O/c1-20-4-6-21(7-5-20)14(22)13-9-10-8-11(15(16,17)18)2-3-12(10)19-13/h2-3,8-9,19H,4-7H2,1H3
InChIKeyRJTNRVNBDUTWPV-UHFFFAOYSA-N
XLogP2.57
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-1H-indol-2-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-1H-indol-2-yl]methanone (CID 10018335) is (4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-1H-indol-2-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-1H-indol-2-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-1H-indol-2-yl]methanone is CN1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-1H-indol-2-yl]methanone?
The InChIKey is RJTNRVNBDUTWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-20-4-6-21(7-5-20)14(22)13-9-10-8-11(15(16,17)18)2-3-12(10)19-13/h2-3,8-9,19H,4-7H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-1H-indol-2-yl]methanone?
(4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-1H-indol-2-yl]methanone has a molecular weight of 311.31 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-1H-indol-2-yl]methanone is sourced from PubChem (CID 10018335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).