(4-methylpiperazin-1-yl)-[6-(trifluoromethyl)-4H-furo[3,2-b]indol-2-yl]methanone

C17H16F3N3O2 — CID 13422756

IUPAC(4-methylpiperazin-1-yl)-[6-(trifluoromethyl)-4H-furo[3,2-b]indol-2-yl]methanone
SMILESCN1CCN(C(=O)c2cc3[nH]c4cc(C(F)(F)F)ccc4c3o2)CC1
InChIInChI=1S/C17H16F3N3O2/c1-22-4-6-23(7-5-22)16(24)14-9-13-15(25-14)11-3-2-10(17(18,19)20)8-12(11)21-13/h2-3,8-9,21H,4-7H2,1H3
InChIKeyRKVKPZHJKKQOAC-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.32
Rot. Bonds1

About (4-methylpiperazin-1-yl)-[6-(trifluoromethyl)-4H-furo[3,2-b]indol-2-yl]methanone

(4-methylpiperazin-1-yl)-[6-(trifluoromethyl)-4H-furo[3,2-b]indol-2-yl]methanone (PubChem CID 13422756) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[6-(trifluoromethyl)-4H-furo[3,2-b]indol-2-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[6-(trifluoromethyl)-4H-furo[3,2-b]indol-2-yl]methanone
PubChem CID13422756
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC Name(4-methylpiperazin-1-yl)-[6-(trifluoromethyl)-4H-furo[3,2-b]indol-2-yl]methanone
SMILESCN1CCN(C(=O)c2cc3[nH]c4cc(C(F)(F)F)ccc4c3o2)CC1
InChIInChI=1S/C17H16F3N3O2/c1-22-4-6-23(7-5-22)16(24)14-9-13-15(25-14)11-3-2-10(17(18,19)20)8-12(11)21-13/h2-3,8-9,21H,4-7H2,1H3
InChIKeyRKVKPZHJKKQOAC-UHFFFAOYSA-N
XLogP3.32
TPSA52.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[6-(trifluoromethyl)-4H-furo[3,2-b]indol-2-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[6-(trifluoromethyl)-4H-furo[3,2-b]indol-2-yl]methanone (CID 13422756) is (4-methylpiperazin-1-yl)-[6-(trifluoromethyl)-4H-furo[3,2-b]indol-2-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[6-(trifluoromethyl)-4H-furo[3,2-b]indol-2-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[6-(trifluoromethyl)-4H-furo[3,2-b]indol-2-yl]methanone is CN1CCN(C(=O)c2cc3[nH]c4cc(C(F)(F)F)ccc4c3o2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[6-(trifluoromethyl)-4H-furo[3,2-b]indol-2-yl]methanone?
The InChIKey is RKVKPZHJKKQOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c1-22-4-6-23(7-5-22)16(24)14-9-13-15(25-14)11-3-2-10(17(18,19)20)8-12(11)21-13/h2-3,8-9,21H,4-7H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-[6-(trifluoromethyl)-4H-furo[3,2-b]indol-2-yl]methanone?
(4-methylpiperazin-1-yl)-[6-(trifluoromethyl)-4H-furo[3,2-b]indol-2-yl]methanone has a molecular weight of 351.33 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[6-(trifluoromethyl)-4H-furo[3,2-b]indol-2-yl]methanone is sourced from PubChem (CID 13422756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).