(6-chloro-2-methyl-1H-indol-3-yl)-(4-ethylpiperazin-1-yl)methanone

C16H20ClN3O — CID 110849920

IUPAC(6-chloro-2-methyl-1H-indol-3-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2c(C)[nH]c3cc(Cl)ccc23)CC1
InChIInChI=1S/C16H20ClN3O/c1-3-19-6-8-20(9-7-19)16(21)15-11(2)18-14-10-12(17)4-5-13(14)15/h4-5,10,18H,3,6-9H2,1-2H3
InChIKeyFRSXWLRCSJPHSH-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.91
Rot. Bonds2

About (6-chloro-2-methyl-1H-indol-3-yl)-(4-ethylpiperazin-1-yl)methanone

(6-chloro-2-methyl-1H-indol-3-yl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 110849920) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is (6-chloro-2-methyl-1H-indol-3-yl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloro-2-methyl-1H-indol-3-yl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID110849920
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name(6-chloro-2-methyl-1H-indol-3-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2c(C)[nH]c3cc(Cl)ccc23)CC1
InChIInChI=1S/C16H20ClN3O/c1-3-19-6-8-20(9-7-19)16(21)15-11(2)18-14-10-12(17)4-5-13(14)15/h4-5,10,18H,3,6-9H2,1-2H3
InChIKeyFRSXWLRCSJPHSH-UHFFFAOYSA-N
XLogP2.91
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-5-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 113221419
(5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 60675583
[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 95350137
6-chloro-N-cyclopropyl-2-methyl-1H-indole-3-carboxamide
CID 110847987
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-(6-chloro-2-methyl-1H-indol-3-yl)-2-(cyclopropylamino)ethanone
CID 82501190
1-[4-(2-methyl-1H-indole-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110805781
6-chloro-3-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1H-quinolin-4-one
CID 696344
ethyl 4-(2-methyl-1H-indole-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110809009
2-ethyl-1-[4-(2-methyl-1H-indole-3-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110807639
(2-methyl-1H-indol-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804851

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-methyl-1H-indol-3-yl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (6-chloro-2-methyl-1H-indol-3-yl)-(4-ethylpiperazin-1-yl)methanone (CID 110849920) is (6-chloro-2-methyl-1H-indol-3-yl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-chloro-2-methyl-1H-indol-3-yl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (6-chloro-2-methyl-1H-indol-3-yl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2c(C)[nH]c3cc(Cl)ccc23)CC1.
What is the InChIKey of (6-chloro-2-methyl-1H-indol-3-yl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is FRSXWLRCSJPHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-3-19-6-8-20(9-7-19)16(21)15-11(2)18-14-10-12(17)4-5-13(14)15/h4-5,10,18H,3,6-9H2,1-2H3.
What are the key properties of (6-chloro-2-methyl-1H-indol-3-yl)-(4-ethylpiperazin-1-yl)methanone?
(6-chloro-2-methyl-1H-indol-3-yl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 305.81 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-methyl-1H-indol-3-yl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 110849920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).