1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride

C18H30ClN3O2S — CID 120849575

IUPAC1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
SMILESCC(c1ccc(N2CCCS2(=O)=O)cc1)N(C)CC1CCNCC1.Cl
InChIInChI=1S/C18H29N3O2S.ClH/c1-15(20(2)14-16-8-10-19-11-9-16)17-4-6-18(7-5-17)21-12-3-13-24(21,22)23;/h4-7,15-16,19H,3,8-14H2,1-2H3;1H
InChIKeyZCCQCSQTGRHGSY-UHFFFAOYSA-N
MW387.98 g/mol
LogP2.64
Rot. Bonds5

About 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride

1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride (PubChem CID 120849575) has the molecular formula C18H30ClN3O2S and a molecular weight of 387.98 g/mol. Its IUPAC name is 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
PubChem CID120849575
Molecular FormulaC18H30ClN3O2S
Molecular Weight387.98 g/mol
Exact Mass387.17
IUPAC Name1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
SMILESCC(c1ccc(N2CCCS2(=O)=O)cc1)N(C)CC1CCNCC1.Cl
InChIInChI=1S/C18H29N3O2S.ClH/c1-15(20(2)14-16-8-10-19-11-9-16)17-4-6-18(7-5-17)21-12-3-13-24(21,22)23;/h4-7,15-16,19H,3,8-14H2,1-2H3;1H
InChIKeyZCCQCSQTGRHGSY-UHFFFAOYSA-N
XLogP2.64
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.98
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride?
The IUPAC name of 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride (CID 120849575) is 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride.
What is the SMILES notation for 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride?
The canonical SMILES for 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride is CC(c1ccc(N2CCCS2(=O)=O)cc1)N(C)CC1CCNCC1.Cl.
What is the InChIKey of 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride?
The InChIKey is ZCCQCSQTGRHGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S.ClH/c1-15(20(2)14-16-8-10-19-11-9-16)17-4-6-18(7-5-17)21-12-3-13-24(21,22)23;/h4-7,15-16,19H,3,8-14H2,1-2H3;1H.
What are the key properties of 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride?
1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride has a molecular weight of 387.98 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride is sourced from PubChem (CID 120849575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).