[4-(1H-indol-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone

C17H17N3OS — CID 2802635

IUPAC[4-(1H-indol-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C17H17N3OS/c21-17(16-5-2-12-22-16)20-10-8-19(9-11-20)15-4-1-3-14-13(15)6-7-18-14/h1-7,12,18H,8-11H2
InChIKeyQLBCEVUYHAKMRP-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.19
Rot. Bonds2

About [4-(1H-indol-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(1H-indol-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 2802635) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is [4-(1H-indol-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(1H-indol-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID2802635
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name[4-(1H-indol-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C17H17N3OS/c21-17(16-5-2-12-22-16)20-10-8-19(9-11-20)15-4-1-3-14-13(15)6-7-18-14/h1-7,12,18H,8-11H2
InChIKeyQLBCEVUYHAKMRP-UHFFFAOYSA-N
XLogP3.19
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trichloro-1-[4-(1H-indol-4-yl)piperazin-1-yl]ethanone
CID 126740582
[4-(2,3-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113080481
1-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-one
CID 139990891
1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110801970
[4-(2,6-difluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113081223
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
ethyl 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoate
CID 113080733
[4-(2,3-dichlorophenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90511220
4-(4-methyl-1,4-diazepan-1-yl)-1H-indole
CID 102049749
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 7292425
2-(1H-indol-3-yl)-1-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110807857

Frequently Asked Questions

What is the IUPAC name of [4-(1H-indol-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(1H-indol-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 2802635) is [4-(1H-indol-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(1H-indol-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(1H-indol-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(c2cccc3[nH]ccc23)CC1.
What is the InChIKey of [4-(1H-indol-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is QLBCEVUYHAKMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c21-17(16-5-2-12-22-16)20-10-8-19(9-11-20)15-4-1-3-14-13(15)6-7-18-14/h1-7,12,18H,8-11H2.
What are the key properties of [4-(1H-indol-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(1H-indol-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 311.41 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-indol-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 2802635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).