1-[4-(7-chloro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone

C16H18ClN3O2 — CID 110850320

IUPAC1-[4-(7-chloro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2c(C)[nH]c3c(Cl)cccc23)CC1
InChIInChI=1S/C16H18ClN3O2/c1-10-14(12-4-3-5-13(17)15(12)18-10)16(22)20-8-6-19(7-9-20)11(2)21/h3-5,18H,6-9H2,1-2H3
InChIKeyPTGOMVPGGZBLOH-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.43
Rot. Bonds1

About 1-[4-(7-chloro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone

1-[4-(7-chloro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 110850320) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 1-[4-(7-chloro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(7-chloro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID110850320
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name1-[4-(7-chloro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2c(C)[nH]c3c(Cl)cccc23)CC1
InChIInChI=1S/C16H18ClN3O2/c1-10-14(12-4-3-5-13(17)15(12)18-10)16(22)20-8-6-19(7-9-20)11(2)21/h3-5,18H,6-9H2,1-2H3
InChIKeyPTGOMVPGGZBLOH-UHFFFAOYSA-N
XLogP2.43
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,7-dichloro-1H-indol-3-yl)ethanone
CID 82269325
7-chloro-2-methyl-N-propyl-1H-indole-3-carboxamide
CID 65335287
1-[4-(4-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
CID 110850307
1-(6-chloro-2,7-dimethyl-1H-indol-3-yl)ethanone
CID 82494396
1-[4-(2-chloro-6-methylbenzoyl)-6-hydroxy-1,4-diazepan-1-yl]ethanone
CID 118764362
7-fluoro-2-methyl-1H-indole-3-carboxylic acid
CID 65335195
2-bromo-7-chloro-1H-indole-3-carboxylic acid
CID 83826113
azepan-1-yl-(2,6-dichlorophenyl)methanone
CID 644555
7-chloro-3-iodo-2-methyl-1H-indole
CID 130049382
(2,6-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403001
(2,3-dimethyl-1H-indol-7-yl)-(4-methylpiperazin-1-yl)methanone
CID 78852296
7-chloro-2-methyl-3-piperazin-1-yl-1H-indole
CID 82279937

Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-chloro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(7-chloro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone (CID 110850320) is 1-[4-(7-chloro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(7-chloro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(7-chloro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2c(C)[nH]c3c(Cl)cccc23)CC1.
What is the InChIKey of 1-[4-(7-chloro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is PTGOMVPGGZBLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-10-14(12-4-3-5-13(17)15(12)18-10)16(22)20-8-6-19(7-9-20)11(2)21/h3-5,18H,6-9H2,1-2H3.
What are the key properties of 1-[4-(7-chloro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone?
1-[4-(7-chloro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 319.79 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-chloro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110850320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).