1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]-5-oxohexyl]piperazin-2-one;hydrochloride

C22H31ClN4O2S — CID 69099544

IUPAC1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]-5-oxohexyl]piperazin-2-one;hydrochloride
SMILESCC(=O)C(CCCN1CCNCC1=O)N1CCN(c2cccc3sccc23)CC1.Cl
InChIInChI=1S/C22H30N4O2S.ClH/c1-17(27)19(5-3-9-26-10-8-23-16-22(26)28)24-11-13-25(14-12-24)20-4-2-6-21-18(20)7-15-29-21;/h2,4,6-7,15,19,23H,3,5,8-14,16H2,1H3;1H
InChIKeyQSNKOPIRHDSUIT-UHFFFAOYSA-N
MW451.04 g/mol
LogP2.61
Rot. Bonds7

About 1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]-5-oxohexyl]piperazin-2-one;hydrochloride

1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]-5-oxohexyl]piperazin-2-one;hydrochloride (PubChem CID 69099544) has the molecular formula C22H31ClN4O2S and a molecular weight of 451.04 g/mol. Its IUPAC name is 1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]-5-oxohexyl]piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]-5-oxohexyl]piperazin-2-one;hydrochloride
PubChem CID69099544
Molecular FormulaC22H31ClN4O2S
Molecular Weight451.04 g/mol
Exact Mass450.19
IUPAC Name1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]-5-oxohexyl]piperazin-2-one;hydrochloride
SMILESCC(=O)C(CCCN1CCNCC1=O)N1CCN(c2cccc3sccc23)CC1.Cl
InChIInChI=1S/C22H30N4O2S.ClH/c1-17(27)19(5-3-9-26-10-8-23-16-22(26)28)24-11-13-25(14-12-24)20-4-2-6-21-18(20)7-15-29-21;/h2,4,6-7,15,19,23H,3,5,8-14,16H2,1H3;1H
InChIKeyQSNKOPIRHDSUIT-UHFFFAOYSA-N
XLogP2.61
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.04
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]-5-oxohexyl]piperazin-2-one;hydrochloride with MolForge

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Related Compounds

1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]azepan-2-one
CID 24880921
1-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propan-1-ol
CID 158026538
1-(1-benzothiophen-4-yl)piperazine;methane
CID 161016318
7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]-1-hydroxybutoxy]-1H-quinolin-2-one
CID 134391639
1-(1-benzothiophen-4-yl)-6-methyl-1,4-diazepane
CID 130343643
2-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]-2-azaspiro[4.4]nonan-1-one
CID 90793426
3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]-2-methyl-3-oxopropanoic acid
CID 167900859
2-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]-3,4-dihydro-1H-isoquinoline
CID 69468370
1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]-3-(4-iodobutyl)pyrrolidin-2-one;hydrochloride
CID 69099246
N-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]-N-ethyl-2-sulfanylacetamide
CID 87693852
1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one
CID 66884891
2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethanamine
CID 91076986

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]-5-oxohexyl]piperazin-2-one;hydrochloride?
The IUPAC name of 1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]-5-oxohexyl]piperazin-2-one;hydrochloride (CID 69099544) is 1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]-5-oxohexyl]piperazin-2-one;hydrochloride.
What is the SMILES notation for 1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]-5-oxohexyl]piperazin-2-one;hydrochloride?
The canonical SMILES for 1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]-5-oxohexyl]piperazin-2-one;hydrochloride is CC(=O)C(CCCN1CCNCC1=O)N1CCN(c2cccc3sccc23)CC1.Cl.
What is the InChIKey of 1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]-5-oxohexyl]piperazin-2-one;hydrochloride?
The InChIKey is QSNKOPIRHDSUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2S.ClH/c1-17(27)19(5-3-9-26-10-8-23-16-22(26)28)24-11-13-25(14-12-24)20-4-2-6-21-18(20)7-15-29-21;/h2,4,6-7,15,19,23H,3,5,8-14,16H2,1H3;1H.
What are the key properties of 1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]-5-oxohexyl]piperazin-2-one;hydrochloride?
1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]-5-oxohexyl]piperazin-2-one;hydrochloride has a molecular weight of 451.04 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]-5-oxohexyl]piperazin-2-one;hydrochloride is sourced from PubChem (CID 69099544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).