2-(4-methoxyphenoxy)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide

C19H24N4O3 — CID 122353098

IUPAC2-(4-methoxyphenoxy)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
SMILESCOc1ccc(OCC(=O)NCc2ccnc(N3CCCCC3)n2)cc1
InChIInChI=1S/C19H24N4O3/c1-25-16-5-7-17(8-6-16)26-14-18(24)21-13-15-9-10-20-19(22-15)23-11-3-2-4-12-23/h5-10H,2-4,11-14H2,1H3,(H,21,24)
InChIKeySHGKJUQQVJICHI-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.17
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide

2-(4-methoxyphenoxy)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide (PubChem CID 122353098) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
PubChem CID122353098
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name2-(4-methoxyphenoxy)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
SMILESCOc1ccc(OCC(=O)NCc2ccnc(N3CCCCC3)n2)cc1
InChIInChI=1S/C19H24N4O3/c1-25-16-5-7-17(8-6-16)26-14-18(24)21-13-15-9-10-20-19(22-15)23-11-3-2-4-12-23/h5-10H,2-4,11-14H2,1H3,(H,21,24)
InChIKeySHGKJUQQVJICHI-UHFFFAOYSA-N
XLogP2.17
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(E)-3-(4-methoxyphenyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]prop-2-enamide
CID 122353175
3-methoxy-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967105
2-(4-methylphenoxy)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352390
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-phenoxyacetamide
CID 72718308
2-naphthalen-1-yl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122353105
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)oxyacetamide
CID 91967334
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-phenoxyacetamide
CID 122352239
N-[(4-methoxyphenyl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109298248
2-(4-methoxyphenoxy)-1-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122344107
2-(1-adamantyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122353151
2-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 46391547
4-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 122352085

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide (CID 122353098) is 2-(4-methoxyphenoxy)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide is COc1ccc(OCC(=O)NCc2ccnc(N3CCCCC3)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide?
The InChIKey is SHGKJUQQVJICHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-25-16-5-7-17(8-6-16)26-14-18(24)21-13-15-9-10-20-19(22-15)23-11-3-2-4-12-23/h5-10H,2-4,11-14H2,1H3,(H,21,24).
What are the key properties of 2-(4-methoxyphenoxy)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide?
2-(4-methoxyphenoxy)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide has a molecular weight of 356.43 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide is sourced from PubChem (CID 122353098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).