5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-5-oxopentanoic acid

C18H21N3O4 — CID 29132484

IUPAC5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C18H21N3O4/c22-16(6-3-7-17(23)24)20-8-10-21(11-9-20)18(25)14-12-19-15-5-2-1-4-13(14)15/h1-2,4-5,12,19H,3,6-11H2,(H,23,24)
InChIKeyUHTJXWFUKRMLOU-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.71
Rot. Bonds5

About 5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-5-oxopentanoic acid

5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-5-oxopentanoic acid (PubChem CID 29132484) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-5-oxopentanoic acid
PubChem CID29132484
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C18H21N3O4/c22-16(6-3-7-17(23)24)20-8-10-21(11-9-20)18(25)14-12-19-15-5-2-1-4-13(14)15/h1-2,4-5,12,19H,3,6-11H2,(H,23,24)
InChIKeyUHTJXWFUKRMLOU-UHFFFAOYSA-N
XLogP1.71
TPSA93.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-hydroxy-1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]octane-1,7-dione
CID 58509565
1-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]pentan-1-one
CID 49206011
1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110803979
1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 86188477
1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
cyclopentyl-[4-(1H-indole-3-carbonyl)piperazin-1-yl]methanone
CID 110801628
1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 42534114
cyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 49206253
(4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone
CID 65281682
1H-indol-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804849
1-(1H-indole-3-carbonyl)azetidine-3-carboxylic acid
CID 71300283
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-5-oxopentanoic acid?
The IUPAC name of 5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-5-oxopentanoic acid (CID 29132484) is 5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-5-oxopentanoic acid?
The canonical SMILES for 5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-5-oxopentanoic acid is O=C(O)CCCC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-5-oxopentanoic acid?
The InChIKey is UHTJXWFUKRMLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c22-16(6-3-7-17(23)24)20-8-10-21(11-9-20)18(25)14-12-19-15-5-2-1-4-13(14)15/h1-2,4-5,12,19H,3,6-11H2,(H,23,24).
What are the key properties of 5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-5-oxopentanoic acid?
5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-5-oxopentanoic acid has a molecular weight of 343.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-5-oxopentanoic acid is sourced from PubChem (CID 29132484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).