N-(1-benzylpiperidin-4-yl)-2-pyrimidin-2-ylsulfanylacetamide

C18H22N4OS — CID 11142430

IUPACN-(1-benzylpiperidin-4-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H22N4OS/c23-17(14-24-18-19-9-4-10-20-18)21-16-7-11-22(12-8-16)13-15-5-2-1-3-6-15/h1-6,9-10,16H,7-8,11-14H2,(H,21,23)
InChIKeyKJKXGLGTZOWAGW-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.35
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-pyrimidin-2-ylsulfanylacetamide

N-(1-benzylpiperidin-4-yl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 11142430) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID11142430
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H22N4OS/c23-17(14-24-18-19-9-4-10-20-18)21-16-7-11-22(12-8-16)13-15-5-2-1-3-6-15/h1-6,9-10,16H,7-8,11-14H2,(H,21,23)
InChIKeyKJKXGLGTZOWAGW-UHFFFAOYSA-N
XLogP2.35
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-pyrimidin-2-ylsulfanylacetamide (CID 11142430) is N-(1-benzylpiperidin-4-yl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-pyrimidin-2-ylsulfanylacetamide is O=C(CSc1ncccn1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is KJKXGLGTZOWAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c23-17(14-24-18-19-9-4-10-20-18)21-16-7-11-22(12-8-16)13-15-5-2-1-3-6-15/h1-6,9-10,16H,7-8,11-14H2,(H,21,23).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(1-benzylpiperidin-4-yl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 342.47 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 11142430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).