[3-(piperidine-1-carbonyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C22H29N3O2S — CID 25060127

IUPAC[3-(piperidine-1-carbonyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc3c(C(=O)N4CCCCC4)csc3c2)CC1
InChIInChI=1S/C22H29N3O2S/c1-16(2)23-10-12-25(13-11-23)21(26)17-6-7-18-19(15-28-20(18)14-17)22(27)24-8-4-3-5-9-24/h6-7,14-16H,3-5,8-13H2,1-2H3
InChIKeyDADDKJBZSUGDLP-UHFFFAOYSA-N
MW399.56 g/mol
LogP3.69
Rot. Bonds3

About [3-(piperidine-1-carbonyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[3-(piperidine-1-carbonyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 25060127) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is [3-(piperidine-1-carbonyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(piperidine-1-carbonyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID25060127
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC Name[3-(piperidine-1-carbonyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc3c(C(=O)N4CCCCC4)csc3c2)CC1
InChIInChI=1S/C22H29N3O2S/c1-16(2)23-10-12-25(13-11-23)21(26)17-6-7-18-19(15-28-20(18)14-17)22(27)24-8-4-3-5-9-24/h6-7,14-16H,3-5,8-13H2,1-2H3
InChIKeyDADDKJBZSUGDLP-UHFFFAOYSA-N
XLogP3.69
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(piperidin-1-ylmethyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 25060389
5-(4-propan-2-ylpiperazine-1-carbonyl)-1-benzothiophene-3-carbaldehyde
CID 86655592
(4-cyclobutylpiperazin-1-yl)-[3-(piperidine-1-carbonyl)-1-benzothiophen-5-yl]methanone
CID 52941001
(2,3-dimethyl-1H-indol-5-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 138041779
2-[4-(1-benzothiophene-3-carbonyl)piperazin-1-yl]propanenitrile
CID 63337420
(4-chlorophenyl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 90085028
(5-methyl-4-phenylthiophen-3-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 135119045
(4-chloro-3-iodophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47039261
(4-bromo-3-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 80980338
1,3-benzodioxol-5-yl-(4-propan-2-ylpiperazin-1-yl)methanone
CID 37299966
[3-(aminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43584943
(2,2-diphenyl-1,3-benzodioxol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 10455267

Frequently Asked Questions

What is the IUPAC name of [3-(piperidine-1-carbonyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(piperidine-1-carbonyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 25060127) is [3-(piperidine-1-carbonyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(piperidine-1-carbonyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(piperidine-1-carbonyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2ccc3c(C(=O)N4CCCCC4)csc3c2)CC1.
What is the InChIKey of [3-(piperidine-1-carbonyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is DADDKJBZSUGDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-16(2)23-10-12-25(13-11-23)21(26)17-6-7-18-19(15-28-20(18)14-17)22(27)24-8-4-3-5-9-24/h6-7,14-16H,3-5,8-13H2,1-2H3.
What are the key properties of [3-(piperidine-1-carbonyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[3-(piperidine-1-carbonyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 399.56 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(piperidine-1-carbonyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 25060127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).