(5-hydroxy-2-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone

C14H17N3O2 — CID 110833669

IUPAC(5-hydroxy-2-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone
SMILESCc1[nH]c2ccc(O)cc2c1C(=O)N1CCNCC1
InChIInChI=1S/C14H17N3O2/c1-9-13(14(19)17-6-4-15-5-7-17)11-8-10(18)2-3-12(11)16-9/h2-3,8,15-16,18H,4-7H2,1H3
InChIKeyYGWPBYWODNTROW-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.23
Rot. Bonds1

About (5-hydroxy-2-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone

(5-hydroxy-2-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone (PubChem CID 110833669) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (5-hydroxy-2-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(5-hydroxy-2-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone
PubChem CID110833669
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(5-hydroxy-2-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone
SMILESCc1[nH]c2ccc(O)cc2c1C(=O)N1CCNCC1
InChIInChI=1S/C14H17N3O2/c1-9-13(14(19)17-6-4-15-5-7-17)11-8-10(18)2-3-12(11)16-9/h2-3,8,15-16,18H,4-7H2,1H3
InChIKeyYGWPBYWODNTROW-UHFFFAOYSA-N
XLogP1.23
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-2-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone?
The IUPAC name of (5-hydroxy-2-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone (CID 110833669) is (5-hydroxy-2-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (5-hydroxy-2-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (5-hydroxy-2-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone is Cc1[nH]c2ccc(O)cc2c1C(=O)N1CCNCC1.
What is the InChIKey of (5-hydroxy-2-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone?
The InChIKey is YGWPBYWODNTROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-13(14(19)17-6-4-15-5-7-17)11-8-10(18)2-3-12(11)16-9/h2-3,8,15-16,18H,4-7H2,1H3.
What are the key properties of (5-hydroxy-2-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone?
(5-hydroxy-2-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone has a molecular weight of 259.31 g/mol, XLogP of 1.23, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-2-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 110833669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).