1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one;hydrochloride

C24H34ClN3O2S — CID 45262113

IUPAC1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one;hydrochloride
SMILESCC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1.Cl
InChIInChI=1S/C24H33N3O2S.ClH/c1-19(2)29-23-8-4-3-7-22(23)26-15-13-25(14-16-26)17-20-10-11-21(30-20)18-27-12-6-5-9-24(27)28;/h3-4,7-8,10-11,19H,5-6,9,12-18H2,1-2H3;1H
InChIKeySHPZLDOPZPEAML-UHFFFAOYSA-N
MW464.08 g/mol
LogP4.79
Rot. Bonds7

About 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one;hydrochloride

1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one;hydrochloride (PubChem CID 45262113) has the molecular formula C24H34ClN3O2S and a molecular weight of 464.08 g/mol. Its IUPAC name is 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one;hydrochloride
PubChem CID45262113
Molecular FormulaC24H34ClN3O2S
Molecular Weight464.08 g/mol
Exact Mass463.21
IUPAC Name1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one;hydrochloride
SMILESCC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1.Cl
InChIInChI=1S/C24H33N3O2S.ClH/c1-19(2)29-23-8-4-3-7-22(23)26-15-13-25(14-16-26)17-20-10-11-21(30-20)18-27-12-6-5-9-24(27)28;/h3-4,7-8,10-11,19H,5-6,9,12-18H2,1-2H3;1H
InChIKeySHPZLDOPZPEAML-UHFFFAOYSA-N
XLogP4.79
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.08
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one;hydrochloride?
The IUPAC name of 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one;hydrochloride (CID 45262113) is 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one;hydrochloride.
What is the SMILES notation for 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one;hydrochloride?
The canonical SMILES for 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one;hydrochloride is CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1.Cl.
What is the InChIKey of 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one;hydrochloride?
The InChIKey is SHPZLDOPZPEAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2S.ClH/c1-19(2)29-23-8-4-3-7-22(23)26-15-13-25(14-16-26)17-20-10-11-21(30-20)18-27-12-6-5-9-24(27)28;/h3-4,7-8,10-11,19H,5-6,9,12-18H2,1-2H3;1H.
What are the key properties of 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one;hydrochloride?
1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one;hydrochloride has a molecular weight of 464.08 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one;hydrochloride is sourced from PubChem (CID 45262113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).