(4-cyclobutylpiperazin-1-yl)-[3-(piperidine-1-carbonyl)-1-benzothiophen-5-yl]methanone

C23H29N3O2S — CID 52941001

IUPAC(4-cyclobutylpiperazin-1-yl)-[3-(piperidine-1-carbonyl)-1-benzothiophen-5-yl]methanone
SMILESO=C(c1ccc2scc(C(=O)N3CCCCC3)c2c1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C23H29N3O2S/c27-22(26-13-11-24(12-14-26)18-5-4-6-18)17-7-8-21-19(15-17)20(16-29-21)23(28)25-9-2-1-3-10-25/h7-8,15-16,18H,1-6,9-14H2
InChIKeyXRYJTISFHQDRSM-UHFFFAOYSA-N
MW411.57 g/mol
LogP3.84
Rot. Bonds3

About (4-cyclobutylpiperazin-1-yl)-[3-(piperidine-1-carbonyl)-1-benzothiophen-5-yl]methanone

(4-cyclobutylpiperazin-1-yl)-[3-(piperidine-1-carbonyl)-1-benzothiophen-5-yl]methanone (PubChem CID 52941001) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is (4-cyclobutylpiperazin-1-yl)-[3-(piperidine-1-carbonyl)-1-benzothiophen-5-yl]methanone.

Molecular Properties

Compound Name(4-cyclobutylpiperazin-1-yl)-[3-(piperidine-1-carbonyl)-1-benzothiophen-5-yl]methanone
PubChem CID52941001
Molecular FormulaC23H29N3O2S
Molecular Weight411.57 g/mol
Exact Mass411.20
IUPAC Name(4-cyclobutylpiperazin-1-yl)-[3-(piperidine-1-carbonyl)-1-benzothiophen-5-yl]methanone
SMILESO=C(c1ccc2scc(C(=O)N3CCCCC3)c2c1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C23H29N3O2S/c27-22(26-13-11-24(12-14-26)18-5-4-6-18)17-7-8-21-19(15-17)20(16-29-21)23(28)25-9-2-1-3-10-25/h7-8,15-16,18H,1-6,9-14H2
InChIKeyXRYJTISFHQDRSM-UHFFFAOYSA-N
XLogP3.84
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-cyclobutylpiperazin-1-yl)-[3-(piperidine-1-carbonyl)-1-benzothiophen-5-yl]methanone with MolForge

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Related Compounds

[3-(piperidine-1-carbonyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 25060127
azepan-1-yl-[1-(1-benzothiophene-3-carbonyl)piperidin-4-yl]methanone
CID 24643105
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
(4-chlorophenyl)-(4-cyclobutyl-1,4-diazepan-1-yl)methanone;hydrochloride
CID 162320465
[4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 11538325
(4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 828765
6-(4-cyclohexylpiperazine-1-carbonyl)-4H-1,4-benzothiazin-3-one
CID 167804187
1-[5-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 134020729
(4-cyclobutyl-1,4-diazepan-1-yl)-(4-ethylphenyl)methanone
CID 131702217
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 142234561
(4-cyclohexyl-1,4-diazepan-1-yl)-[6-(methylamino)-3-pyridinyl]methanone
CID 28954139
(4-cyclopropylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 35280934

Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylpiperazin-1-yl)-[3-(piperidine-1-carbonyl)-1-benzothiophen-5-yl]methanone?
The IUPAC name of (4-cyclobutylpiperazin-1-yl)-[3-(piperidine-1-carbonyl)-1-benzothiophen-5-yl]methanone (CID 52941001) is (4-cyclobutylpiperazin-1-yl)-[3-(piperidine-1-carbonyl)-1-benzothiophen-5-yl]methanone.
What is the SMILES notation for (4-cyclobutylpiperazin-1-yl)-[3-(piperidine-1-carbonyl)-1-benzothiophen-5-yl]methanone?
The canonical SMILES for (4-cyclobutylpiperazin-1-yl)-[3-(piperidine-1-carbonyl)-1-benzothiophen-5-yl]methanone is O=C(c1ccc2scc(C(=O)N3CCCCC3)c2c1)N1CCN(C2CCC2)CC1.
What is the InChIKey of (4-cyclobutylpiperazin-1-yl)-[3-(piperidine-1-carbonyl)-1-benzothiophen-5-yl]methanone?
The InChIKey is XRYJTISFHQDRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S/c27-22(26-13-11-24(12-14-26)18-5-4-6-18)17-7-8-21-19(15-17)20(16-29-21)23(28)25-9-2-1-3-10-25/h7-8,15-16,18H,1-6,9-14H2.
What are the key properties of (4-cyclobutylpiperazin-1-yl)-[3-(piperidine-1-carbonyl)-1-benzothiophen-5-yl]methanone?
(4-cyclobutylpiperazin-1-yl)-[3-(piperidine-1-carbonyl)-1-benzothiophen-5-yl]methanone has a molecular weight of 411.57 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylpiperazin-1-yl)-[3-(piperidine-1-carbonyl)-1-benzothiophen-5-yl]methanone is sourced from PubChem (CID 52941001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).