1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one

C23H24ClN3O3 — CID 53013265

IUPAC1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C23H24ClN3O3/c1-30-21-5-3-2-4-16(21)6-9-22(28)26-10-12-27(13-11-26)23(29)20-15-17-14-18(24)7-8-19(17)25-20/h2-5,7-8,14-15,25H,6,9-13H2,1H3
InChIKeyWJRDQJOISZAHJK-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.75
Rot. Bonds5

About 1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one

1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one (PubChem CID 53013265) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is 1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
PubChem CID53013265
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C23H24ClN3O3/c1-30-21-5-3-2-4-16(21)6-9-22(28)26-10-12-27(13-11-26)23(29)20-15-17-14-18(24)7-8-19(17)25-20/h2-5,7-8,14-15,25H,6,9-13H2,1H3
InChIKeyWJRDQJOISZAHJK-UHFFFAOYSA-N
XLogP3.75
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one with MolForge

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Related Compounds

(5-chloro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 3972918
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 39711237
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 46579208
methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate
CID 110365875
1-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-3-(2,3-dimethoxyphenyl)propan-1-one
CID 55716290
(5-chloro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134034136
(5-chloro-1H-indol-2-yl)-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 86889363
3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110755813
methyl (2R)-2-(3-chlorophenyl)-2-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]acetate
CID 97064150
[4-(5-chloro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78850390
1-(1,4-diazepan-1-yl)-3-(2-methoxyphenyl)propan-1-one
CID 82090865

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one?
The IUPAC name of 1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one (CID 53013265) is 1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one is COc1ccccc1CCC(=O)N1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.
What is the InChIKey of 1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one?
The InChIKey is WJRDQJOISZAHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-30-21-5-3-2-4-16(21)6-9-22(28)26-10-12-27(13-11-26)23(29)20-15-17-14-18(24)7-8-19(17)25-20/h2-5,7-8,14-15,25H,6,9-13H2,1H3.
What are the key properties of 1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one?
1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one has a molecular weight of 425.92 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 53013265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).