(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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Related Compounds

(4-hydroxy-2,6-dimethylphenyl)-piperazin-1-ylmethanone
CID 82266519
3-(dimethylamino)-1-[4-(5-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 110611582
tert-butyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate
CID 54440936
2-[(5-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid
CID 110835915
piperazin-1-yl-(2,3,5,6-tetramethylphenyl)methanone
CID 82130774
cyclopropylmethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate
CID 54453164
8-(5-chloro-2-methyl-1H-indole-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 167973827
(6-fluoro-2-methyl-1H-indol-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 110849017
1-[4-(2-methyl-1H-indole-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110805781
(2-methyl-1H-indol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 26737234
(2,6-difluoro-3-methylphenyl)-piperazin-1-ylmethanone
CID 82814419
(3,7-dihydroxynaphthalen-2-yl)-piperazin-1-ylmethanone
CID 23104893

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).