3H-benzo[e]indol-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C19H21N3O2 — CID 78854271

IUPAC3H-benzo[e]indol-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2c(ccc3ccccc32)[nH]1)N1CCN(CCO)CC1
InChIInChI=1S/C19H21N3O2/c23-12-11-21-7-9-22(10-8-21)19(24)18-13-16-15-4-2-1-3-14(15)5-6-17(16)20-18/h1-6,13,20,23H,7-12H2
InChIKeyYMPFLMXYFRUKBM-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.07
Rot. Bonds3

About 3H-benzo[e]indol-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

3H-benzo[e]indol-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 78854271) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3H-benzo[e]indol-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name3H-benzo[e]indol-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID78854271
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3H-benzo[e]indol-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2c(ccc3ccccc32)[nH]1)N1CCN(CCO)CC1
InChIInChI=1S/C19H21N3O2/c23-12-11-21-7-9-22(10-8-21)19(24)18-13-16-15-4-2-1-3-14(15)5-6-17(16)20-18/h1-6,13,20,23H,7-12H2
InChIKeyYMPFLMXYFRUKBM-UHFFFAOYSA-N
XLogP2.07
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-hydroxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 43390847
4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-10H-acridin-9-one
CID 167988048
3H-benzo[e]indole-2-carboxamide
CID 69052139
4-[4-(1H-indole-2-carbonyl)piperazin-1-yl]butanenitrile
CID 51107120
[4-(2-cyclohexylethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 22660610
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 46579208
3H-benzo[e]indol-2-yl-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 56870481
2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 86879179
1H-indol-2-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 42572629
3H-benzo[e]indol-2-yl-[(2R,6R)-2,6-dimethylazepan-1-yl]methanone
CID 99811069
1H-indol-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226484

Frequently Asked Questions

What is the IUPAC name of 3H-benzo[e]indol-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of 3H-benzo[e]indol-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 78854271) is 3H-benzo[e]indol-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for 3H-benzo[e]indol-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for 3H-benzo[e]indol-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is O=C(c1cc2c(ccc3ccccc32)[nH]1)N1CCN(CCO)CC1.
What is the InChIKey of 3H-benzo[e]indol-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is YMPFLMXYFRUKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-12-11-21-7-9-22(10-8-21)19(24)18-13-16-15-4-2-1-3-14(15)5-6-17(16)20-18/h1-6,13,20,23H,7-12H2.
What are the key properties of 3H-benzo[e]indol-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
3H-benzo[e]indol-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 323.40 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzo[e]indol-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 78854271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).