(5-hydroxy-1,2-dimethylindol-3-yl)-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone

C18H25N3O3 — CID 70761632

IUPAC(5-hydroxy-1,2-dimethylindol-3-yl)-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCN(C)C(CCO)C2)c2cc(O)ccc2n1C
InChIInChI=1S/C18H25N3O3/c1-12-17(15-10-14(23)4-5-16(15)20(12)3)18(24)21-8-7-19(2)13(11-21)6-9-22/h4-5,10,13,22-23H,6-9,11H2,1-3H3
InChIKeyOBDLZLGVPRDKRC-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.33
Rot. Bonds3

About (5-hydroxy-1,2-dimethylindol-3-yl)-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone

(5-hydroxy-1,2-dimethylindol-3-yl)-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone (PubChem CID 70761632) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (5-hydroxy-1,2-dimethylindol-3-yl)-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-hydroxy-1,2-dimethylindol-3-yl)-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
PubChem CID70761632
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(5-hydroxy-1,2-dimethylindol-3-yl)-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCN(C)C(CCO)C2)c2cc(O)ccc2n1C
InChIInChI=1S/C18H25N3O3/c1-12-17(15-10-14(23)4-5-16(15)20(12)3)18(24)21-8-7-19(2)13(11-21)6-9-22/h4-5,10,13,22-23H,6-9,11H2,1-3H3
InChIKeyOBDLZLGVPRDKRC-UHFFFAOYSA-N
XLogP1.33
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone
CID 56900158
3-[(3S)-3-(2-hydroxyethyl)-4-methylpiperazine-1-carbonyl]-4,5,6-trimethyl-1H-pyridin-2-one
CID 126451376
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-1,2-dimethylindole-3-carboxamide
CID 124753319
(5-hydroxy-1,2-dimethylindol-3-yl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170503579
[4-(3-fluoro-4-hydroxyphenyl)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
CID 126432795
[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-hydroxy-1,2-dimethylindol-3-yl)methanone
CID 95889426
N-cyclopentyl-5-(5-hydroxy-1,2-dimethylindole-3-carbonyl)-1-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26232671
(5-hydroxy-1,2-dimethylindol-3-yl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 163306930
(4-ethyl-5-methylthiophen-3-yl)-[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
CID 28850329
[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(1H-indol-6-yl)phenyl]methanone
CID 118769094
[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-(5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone
CID 95228190
[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 95860613

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-1,2-dimethylindol-3-yl)-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone?
The IUPAC name of (5-hydroxy-1,2-dimethylindol-3-yl)-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone (CID 70761632) is (5-hydroxy-1,2-dimethylindol-3-yl)-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (5-hydroxy-1,2-dimethylindol-3-yl)-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone?
The canonical SMILES for (5-hydroxy-1,2-dimethylindol-3-yl)-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone is Cc1c(C(=O)N2CCN(C)C(CCO)C2)c2cc(O)ccc2n1C.
What is the InChIKey of (5-hydroxy-1,2-dimethylindol-3-yl)-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone?
The InChIKey is OBDLZLGVPRDKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12-17(15-10-14(23)4-5-16(15)20(12)3)18(24)21-8-7-19(2)13(11-21)6-9-22/h4-5,10,13,22-23H,6-9,11H2,1-3H3.
What are the key properties of (5-hydroxy-1,2-dimethylindol-3-yl)-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone?
(5-hydroxy-1,2-dimethylindol-3-yl)-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone has a molecular weight of 331.42 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-1,2-dimethylindol-3-yl)-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 70761632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).