(6-hydroxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone

C14H17N3O2 — CID 22660616

IUPAC(6-hydroxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3ccc(O)cc3[nH]2)CC1
InChIInChI=1S/C14H17N3O2/c1-16-4-6-17(7-5-16)14(19)13-8-10-2-3-11(18)9-12(10)15-13/h2-3,8-9,15,18H,4-7H2,1H3
InChIKeyBSXCOHRILIPORM-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.26
Rot. Bonds1

About (6-hydroxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone

(6-hydroxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 22660616) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (6-hydroxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-hydroxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID22660616
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(6-hydroxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3ccc(O)cc3[nH]2)CC1
InChIInChI=1S/C14H17N3O2/c1-16-4-6-17(7-5-16)14(19)13-8-10-2-3-11(18)9-12(10)15-13/h2-3,8-9,15,18H,4-7H2,1H3
InChIKeyBSXCOHRILIPORM-UHFFFAOYSA-N
XLogP1.26
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (6-hydroxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 22660616) is (6-hydroxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-hydroxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (6-hydroxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc3ccc(O)cc3[nH]2)CC1.
What is the InChIKey of (6-hydroxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is BSXCOHRILIPORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-16-4-6-17(7-5-16)14(19)13-8-10-2-3-11(18)9-12(10)15-13/h2-3,8-9,15,18H,4-7H2,1H3.
What are the key properties of (6-hydroxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
(6-hydroxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 259.31 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 22660616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).