2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide

C18H24N4O2S — CID 53189234

IUPAC2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCOc1nccc(N2CCC(CC(=O)NCCc3cccs3)CC2)n1
InChIInChI=1S/C18H24N4O2S/c1-24-18-20-9-5-16(21-18)22-10-6-14(7-11-22)13-17(23)19-8-4-15-3-2-12-25-15/h2-3,5,9,12,14H,4,6-8,10-11,13H2,1H3,(H,19,23)
InChIKeyFUWAMXZVOQZAND-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.51
Rot. Bonds7

About 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide

2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 53189234) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID53189234
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCOc1nccc(N2CCC(CC(=O)NCCc3cccs3)CC2)n1
InChIInChI=1S/C18H24N4O2S/c1-24-18-20-9-5-16(21-18)22-10-6-14(7-11-22)13-17(23)19-8-4-15-3-2-12-25-15/h2-3,5,9,12,14H,4,6-8,10-11,13H2,1H3,(H,19,23)
InChIKeyFUWAMXZVOQZAND-UHFFFAOYSA-N
XLogP2.51
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-ethyl-2-(phenylamino)-6-(thiophen-3-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328648
Pyrido[2,3-d]pyrimidin-7-one deriv. 27
CID 5328640
(S,E)-2-(5-chlorothiophen-2-yl)-N-((1-(1-(2-methylpyrimidin-4-yl)piperidine-4-carbonyl)pyrrolidin-3-yl)methyl)ethenesulfonamide
CID 11283614
(R,E)-2-(5-chlorothiophen-2-yl)-N-((1-(1-(2-methylpyrimidin-4-yl)piperidine-4-carbonyl)pyrrolidin-3-yl)methyl)ethenesulfonamide
CID 11318187
8-methyl-2-(methylamino)-6-(thiophen-3-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328644
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid (thiophen-2-ylmethyl)-amide
CID 645574
5-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 2431997
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 2434569
2-Piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3233205
8-Cyclopropyl-2-piperazin-1-yl-6-thiophen-2-ylpteridin-7-one
CID 3233995
2-(Ethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one
CID 3234227
(3-Methylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 17398754

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide (CID 53189234) is 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide is COc1nccc(N2CCC(CC(=O)NCCc3cccs3)CC2)n1.
What is the InChIKey of 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is FUWAMXZVOQZAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-24-18-20-9-5-16(21-18)22-10-6-14(7-11-22)13-17(23)19-8-4-15-3-2-12-25-15/h2-3,5,9,12,14H,4,6-8,10-11,13H2,1H3,(H,19,23).
What are the key properties of 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide?
2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 360.48 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 53189234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).