1-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-one

C15H19N3O — CID 139990891

IUPAC1-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C15H19N3O/c1-2-15(19)18-10-8-17(9-11-18)14-5-3-4-13-12(14)6-7-16-13/h3-7,16H,2,8-11H2,1H3
InChIKeyDGLAJTBVGYMNEZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.23
Rot. Bonds2

About 1-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-one

1-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-one (PubChem CID 139990891) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-one
PubChem CID139990891
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C15H19N3O/c1-2-15(19)18-10-8-17(9-11-18)14-5-3-4-13-12(14)6-7-16-13/h3-7,16H,2,8-11H2,1H3
InChIKeyDGLAJTBVGYMNEZ-UHFFFAOYSA-N
XLogP2.23
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trichloro-1-[4-(1H-indol-4-yl)piperazin-1-yl]ethanone
CID 126740582
(2,6-dichlorophenyl)-[4-(1H-indol-4-yl)piperazin-1-yl]methanone
CID 2802639
[4-(1H-indol-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 2802635
4-(4-methyl-1,4-diazepan-1-yl)-1H-indole
CID 102049749
4-(1H-indol-4-yl)-N-[2-(1-methyltetrazol-5-yl)ethyl]piperazine-1-carboxamide
CID 154765240
N-(3,4-dichlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide
CID 2802663
1-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]propan-1-one
CID 133285215
1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one
CID 113079712
2-[4-(1H-indol-4-yl)piperazin-1-yl]-1-phenylethanamine
CID 18993057
N-(cyclohexanecarbonyl)-N-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethyl]cyclohexanecarboxamide;dihydrochloride
CID 70123294
1-[4-(2,6-difluorophenyl)piperazin-1-yl]propan-1-one
CID 113081212
4-[4-[4-(2,6-dimethylphenyl)sulfanylbutyl]piperazin-1-yl]-1H-indole
CID 10200617

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-one (CID 139990891) is 1-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2cccc3[nH]ccc23)CC1.
What is the InChIKey of 1-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-one?
The InChIKey is DGLAJTBVGYMNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-15(19)18-10-8-17(9-11-18)14-5-3-4-13-12(14)6-7-16-13/h3-7,16H,2,8-11H2,1H3.
What are the key properties of 1-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-one?
1-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-one has a molecular weight of 257.34 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 139990891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).