3-[3-[4-(7-chloro-1H-indole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one

C24H24ClN3O3 — CID 177381162

IUPAC3-[3-[4-(7-chloro-1H-indole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one
SMILESO=C1OC(CCCN2CCN(C(=O)c3cc4cccc(Cl)c4[nH]3)CC2)c2ccccc21
InChIInChI=1S/C24H24ClN3O3/c25-19-8-3-5-16-15-20(26-22(16)19)23(29)28-13-11-27(12-14-28)10-4-9-21-17-6-1-2-7-18(17)24(30)31-21/h1-3,5-8,15,21,26H,4,9-14H2
InChIKeyUXNLZQSYGMSGCJ-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.27
Rot. Bonds5

About 3-[3-[4-(7-chloro-1H-indole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one

3-[3-[4-(7-chloro-1H-indole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one (PubChem CID 177381162) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is 3-[3-[4-(7-chloro-1H-indole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-[3-[4-(7-chloro-1H-indole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one
PubChem CID177381162
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name3-[3-[4-(7-chloro-1H-indole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one
SMILESO=C1OC(CCCN2CCN(C(=O)c3cc4cccc(Cl)c4[nH]3)CC2)c2ccccc21
InChIInChI=1S/C24H24ClN3O3/c25-19-8-3-5-16-15-20(26-22(16)19)23(29)28-13-11-27(12-14-28)10-4-9-21-17-6-1-2-7-18(17)24(30)31-21/h1-3,5-8,15,21,26H,4,9-14H2
InChIKeyUXNLZQSYGMSGCJ-UHFFFAOYSA-N
XLogP4.27
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-[4-(7-chloro-1H-indole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one with MolForge

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Related Compounds

3-[3-[4-(1H-benzimidazole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one
CID 177381166
3-[3-[4-(4-methylbenzoyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one
CID 177381148
3-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one
CID 177381156
(7-chloro-1H-indol-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71725008
3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one
CID 177381139
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
(7-chloro-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
CID 142576176
2-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
CID 2870515
[4-(1H-indol-2-ylmethyl)piperazin-1-yl]-(7-methyl-1H-indol-2-yl)methanone
CID 155953233
(3R)-3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3H-2-benzofuran-1-one
CID 2477905
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 78794978

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(7-chloro-1H-indole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one?
The IUPAC name of 3-[3-[4-(7-chloro-1H-indole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one (CID 177381162) is 3-[3-[4-(7-chloro-1H-indole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-[3-[4-(7-chloro-1H-indole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one?
The canonical SMILES for 3-[3-[4-(7-chloro-1H-indole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one is O=C1OC(CCCN2CCN(C(=O)c3cc4cccc(Cl)c4[nH]3)CC2)c2ccccc21.
What is the InChIKey of 3-[3-[4-(7-chloro-1H-indole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one?
The InChIKey is UXNLZQSYGMSGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c25-19-8-3-5-16-15-20(26-22(16)19)23(29)28-13-11-27(12-14-28)10-4-9-21-17-6-1-2-7-18(17)24(30)31-21/h1-3,5-8,15,21,26H,4,9-14H2.
What are the key properties of 3-[3-[4-(7-chloro-1H-indole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one?
3-[3-[4-(7-chloro-1H-indole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one has a molecular weight of 437.93 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(7-chloro-1H-indole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 177381162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).