[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(1H-indol-6-yl)phenyl]methanone

C22H25N3O2 — CID 118769094

IUPAC[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(1H-indol-6-yl)phenyl]methanone
SMILESCN1CCN(C(=O)c2cccc(-c3ccc4cc[nH]c4c3)c2)CC1CCO
InChIInChI=1S/C22H25N3O2/c1-24-10-11-25(15-20(24)8-12-26)22(27)19-4-2-3-17(13-19)18-6-5-16-7-9-23-21(16)14-18/h2-7,9,13-14,20,23,26H,8,10-12,15H2,1H3
InChIKeyBDPQSPLIGYHIHN-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.97
Rot. Bonds4

About [3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(1H-indol-6-yl)phenyl]methanone

[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(1H-indol-6-yl)phenyl]methanone (PubChem CID 118769094) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(1H-indol-6-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(1H-indol-6-yl)phenyl]methanone
PubChem CID118769094
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(1H-indol-6-yl)phenyl]methanone
SMILESCN1CCN(C(=O)c2cccc(-c3ccc4cc[nH]c4c3)c2)CC1CCO
InChIInChI=1S/C22H25N3O2/c1-24-10-11-25(15-20(24)8-12-26)22(27)19-4-2-3-17(13-19)18-6-5-16-7-9-23-21(16)14-18/h2-7,9,13-14,20,23,26H,8,10-12,15H2,1H3
InChIKeyBDPQSPLIGYHIHN-UHFFFAOYSA-N
XLogP2.97
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[6-(4-methylsulfanylphenyl)naphthalen-2-yl]methanone
CID 172655751
[3-(2-ethoxyethoxy)phenyl]-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
CID 135107435
[4-(3-fluoro-4-hydroxyphenyl)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
CID 126432795
[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 95860613
1-[3-(1H-indol-6-yl)benzoyl]-N,4-dimethylpiperidine-4-carboxamide
CID 118764711
[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-[3-(4-fluorophenyl)phenyl]methanone
CID 118779614
[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(1H-indol-5-yl)methanone
CID 91768627
[(2S)-4-(1H-indole-6-carbonyl)-2-methylpiperazin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone
CID 46880495
[(3S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl]-[4-(2-methylphenyl)phenyl]methanone
CID 46880631
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 115775238
[(3S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl]-(4-pyridin-2-ylphenyl)methanone
CID 46880773
(2-amino-4-phenylpyrimidin-5-yl)-[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
CID 95869933

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(1H-indol-6-yl)phenyl]methanone?
The IUPAC name of [3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(1H-indol-6-yl)phenyl]methanone (CID 118769094) is [3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(1H-indol-6-yl)phenyl]methanone.
What is the SMILES notation for [3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(1H-indol-6-yl)phenyl]methanone?
The canonical SMILES for [3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(1H-indol-6-yl)phenyl]methanone is CN1CCN(C(=O)c2cccc(-c3ccc4cc[nH]c4c3)c2)CC1CCO.
What is the InChIKey of [3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(1H-indol-6-yl)phenyl]methanone?
The InChIKey is BDPQSPLIGYHIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-24-10-11-25(15-20(24)8-12-26)22(27)19-4-2-3-17(13-19)18-6-5-16-7-9-23-21(16)14-18/h2-7,9,13-14,20,23,26H,8,10-12,15H2,1H3.
What are the key properties of [3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(1H-indol-6-yl)phenyl]methanone?
[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(1H-indol-6-yl)phenyl]methanone has a molecular weight of 363.46 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(1H-indol-6-yl)phenyl]methanone is sourced from PubChem (CID 118769094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).