[3-(piperidin-1-ylmethyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C22H31N3OS — CID 25060389

IUPAC[3-(piperidin-1-ylmethyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc3c(CN4CCCCC4)csc3c2)CC1
InChIInChI=1S/C22H31N3OS/c1-17(2)24-10-12-25(13-11-24)22(26)18-6-7-20-19(16-27-21(20)14-18)15-23-8-4-3-5-9-23/h6-7,14,16-17H,3-5,8-13,15H2,1-2H3
InChIKeySLJTVRATDMZADI-UHFFFAOYSA-N
MW385.58 g/mol
LogP4.05
Rot. Bonds4

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

[3-(piperidin-1-ylmethyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 25060389) has the molecular formula C22H31N3OS and a molecular weight of 385.58 g/mol. Its IUPAC name is [3-(piperidin-1-ylmethyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(piperidin-1-ylmethyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID25060389
Molecular FormulaC22H31N3OS
Molecular Weight385.58 g/mol
Exact Mass385.22
IUPAC Name[3-(piperidin-1-ylmethyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc3c(CN4CCCCC4)csc3c2)CC1
InChIInChI=1S/C22H31N3OS/c1-17(2)24-10-12-25(13-11-24)22(26)18-6-7-20-19(16-27-21(20)14-18)15-23-8-4-3-5-9-23/h6-7,14,16-17H,3-5,8-13,15H2,1-2H3
InChIKeySLJTVRATDMZADI-UHFFFAOYSA-N
XLogP4.05
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.58
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(piperidin-1-ylmethyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-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
1-[(6-methyl-1-benzothiophen-3-yl)methyl]piperidine
CID 117185593
5-(4-propan-2-ylpiperazine-1-carbonyl)-1-benzothiophene-3-carbaldehyde
CID 86655592
5-[4-(1-benzothiophen-3-ylmethyl)piperazine-1-carbonyl]-2-methylisoindole-1,3-dione
CID 37273690
[3-[(4-benzylpiperidin-1-yl)methyl]-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 25059867
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
[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 33261222
(2,3-dimethyl-1H-indol-5-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 138041779
[4-(1-benzothiophen-3-ylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 138383820
3-methyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]benzoic acid
CID 114485404
(4-bromo-3-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 80980338

Frequently Asked Questions

What is the IUPAC name of [3-(piperidin-1-ylmethyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(piperidin-1-ylmethyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 25060389) is [3-(piperidin-1-ylmethyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(piperidin-1-ylmethyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(piperidin-1-ylmethyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2ccc3c(CN4CCCCC4)csc3c2)CC1.
What is the InChIKey of [3-(piperidin-1-ylmethyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is SLJTVRATDMZADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3OS/c1-17(2)24-10-12-25(13-11-24)22(26)18-6-7-20-19(16-27-21(20)14-18)15-23-8-4-3-5-9-23/h6-7,14,16-17H,3-5,8-13,15H2,1-2H3.
What are the key properties of [3-(piperidin-1-ylmethyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[3-(piperidin-1-ylmethyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 385.58 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(piperidin-1-ylmethyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 25060389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).