1-N-benzyl-4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-methylpiperidine-1,4-dicarboxamide

C18H24N4O2S — CID 95168606

IUPAC1-N-benzyl-4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-methylpiperidine-1,4-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)N1CCC(C(=O)NC2=NCCS2)CC1
InChIInChI=1S/C18H24N4O2S/c1-21(13-14-5-3-2-4-6-14)18(24)22-10-7-15(8-11-22)16(23)20-17-19-9-12-25-17/h2-6,15H,7-13H2,1H3,(H,19,20,23)
InChIKeyWIAJRVKXHPYVBQ-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.17
Rot. Bonds3

About 1-N-benzyl-4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-methylpiperidine-1,4-dicarboxamide

1-N-benzyl-4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-methylpiperidine-1,4-dicarboxamide (PubChem CID 95168606) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-N-benzyl-4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-methylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-methylpiperidine-1,4-dicarboxamide
PubChem CID95168606
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name1-N-benzyl-4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-methylpiperidine-1,4-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)N1CCC(C(=O)NC2=NCCS2)CC1
InChIInChI=1S/C18H24N4O2S/c1-21(13-14-5-3-2-4-6-14)18(24)22-10-7-15(8-11-22)16(23)20-17-19-9-12-25-17/h2-6,15H,7-13H2,1H3,(H,19,20,23)
InChIKeyWIAJRVKXHPYVBQ-UHFFFAOYSA-N
XLogP2.17
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-methylpiperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-benzyl-4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-methylpiperidine-1,4-dicarboxamide (CID 95168606) is 1-N-benzyl-4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-methylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-methylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-benzyl-4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-methylpiperidine-1,4-dicarboxamide is CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NC2=NCCS2)CC1.
What is the InChIKey of 1-N-benzyl-4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-methylpiperidine-1,4-dicarboxamide?
The InChIKey is WIAJRVKXHPYVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-21(13-14-5-3-2-4-6-14)18(24)22-10-7-15(8-11-22)16(23)20-17-19-9-12-25-17/h2-6,15H,7-13H2,1H3,(H,19,20,23).
What are the key properties of 1-N-benzyl-4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-methylpiperidine-1,4-dicarboxamide?
1-N-benzyl-4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-methylpiperidine-1,4-dicarboxamide has a molecular weight of 360.48 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-methylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 95168606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).