(7-chloro-1-methylindol-2-yl)-(4-methylpiperazin-1-yl)methanone

C15H18ClN3O — CID 110849758

IUPAC(7-chloro-1-methylindol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3cccc(Cl)c3n2C)CC1
InChIInChI=1S/C15H18ClN3O/c1-17-6-8-19(9-7-17)15(20)13-10-11-4-3-5-12(16)14(11)18(13)2/h3-5,10H,6-9H2,1-2H3
InChIKeyOQAOANOGEDGFJC-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.22
Rot. Bonds1

About (7-chloro-1-methylindol-2-yl)-(4-methylpiperazin-1-yl)methanone

(7-chloro-1-methylindol-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 110849758) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is (7-chloro-1-methylindol-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(7-chloro-1-methylindol-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID110849758
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name(7-chloro-1-methylindol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3cccc(Cl)c3n2C)CC1
InChIInChI=1S/C15H18ClN3O/c1-17-6-8-19(9-7-17)15(20)13-10-11-4-3-5-12(16)14(11)18(13)2/h3-5,10H,6-9H2,1-2H3
InChIKeyOQAOANOGEDGFJC-UHFFFAOYSA-N
XLogP2.22
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(7-chloro-1-methylindole-2-carbonyl)piperazine-1-carboxylate
CID 110853989
7-(7-chloro-1-methylindole-2-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 119062772
(2,3-dichlorophenyl)-[4-(1-methylindole-2-carbonyl)piperazin-1-yl]methanone
CID 55881568
7-chloro-1-methyl-N-propan-2-ylindole-2-carboxamide
CID 110847862
(4,4-difluoropiperidin-1-yl)-(1,7-dimethylindol-2-yl)methanone
CID 72848626
2-[4-(7-chloro-1-methylindole-2-carbonyl)morpholin-3-yl]acetic acid
CID 56902551
8-chloro-1-methyl-2-oxoquinoline-3-carboxylic acid
CID 115042327
7-chloro-N-(4-hydroxyoxolan-3-yl)-1-methylindole-2-carboxamide
CID 156607520
1-methyl-2-(4-methylpiperazine-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one
CID 90644176
7-chloro-1-propylindole-2-carboxylic acid
CID 83968460
(4-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 66572106
[4-(2-chlorophenyl)piperazin-1-yl]-[1-[2-(dimethylamino)ethyl]indol-2-yl]methanone
CID 10982482

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-methylindol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (7-chloro-1-methylindol-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 110849758) is (7-chloro-1-methylindol-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (7-chloro-1-methylindol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (7-chloro-1-methylindol-2-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc3cccc(Cl)c3n2C)CC1.
What is the InChIKey of (7-chloro-1-methylindol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is OQAOANOGEDGFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-17-6-8-19(9-7-17)15(20)13-10-11-4-3-5-12(16)14(11)18(13)2/h3-5,10H,6-9H2,1-2H3.
What are the key properties of (7-chloro-1-methylindol-2-yl)-(4-methylpiperazin-1-yl)methanone?
(7-chloro-1-methylindol-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 291.78 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-methylindol-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 110849758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).