2-[1-(2-methoxyacetyl)piperidin-3-yl]-4-methylpyrimidine-5-carboxamide

C14H20N4O3 — CID 110088774

IUPAC2-[1-(2-methoxyacetyl)piperidin-3-yl]-4-methylpyrimidine-5-carboxamide
SMILESCOCC(=O)N1CCCC(c2ncc(C(N)=O)c(C)n2)C1
InChIInChI=1S/C14H20N4O3/c1-9-11(13(15)20)6-16-14(17-9)10-4-3-5-18(7-10)12(19)8-21-2/h6,10H,3-5,7-8H2,1-2H3,(H2,15,20)
InChIKeyBHQRPLWEHIMAKA-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.24
Rot. Bonds4

About 2-[1-(2-methoxyacetyl)piperidin-3-yl]-4-methylpyrimidine-5-carboxamide

2-[1-(2-methoxyacetyl)piperidin-3-yl]-4-methylpyrimidine-5-carboxamide (PubChem CID 110088774) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[1-(2-methoxyacetyl)piperidin-3-yl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[1-(2-methoxyacetyl)piperidin-3-yl]-4-methylpyrimidine-5-carboxamide
PubChem CID110088774
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-[1-(2-methoxyacetyl)piperidin-3-yl]-4-methylpyrimidine-5-carboxamide
SMILESCOCC(=O)N1CCCC(c2ncc(C(N)=O)c(C)n2)C1
InChIInChI=1S/C14H20N4O3/c1-9-11(13(15)20)6-16-14(17-9)10-4-3-5-18(7-10)12(19)8-21-2/h6,10H,3-5,7-8H2,1-2H3,(H2,15,20)
InChIKeyBHQRPLWEHIMAKA-UHFFFAOYSA-N
XLogP0.24
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyacetyl)piperidin-3-yl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-[1-(2-methoxyacetyl)piperidin-3-yl]-4-methylpyrimidine-5-carboxamide (CID 110088774) is 2-[1-(2-methoxyacetyl)piperidin-3-yl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[1-(2-methoxyacetyl)piperidin-3-yl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[1-(2-methoxyacetyl)piperidin-3-yl]-4-methylpyrimidine-5-carboxamide is COCC(=O)N1CCCC(c2ncc(C(N)=O)c(C)n2)C1.
What is the InChIKey of 2-[1-(2-methoxyacetyl)piperidin-3-yl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is BHQRPLWEHIMAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-9-11(13(15)20)6-16-14(17-9)10-4-3-5-18(7-10)12(19)8-21-2/h6,10H,3-5,7-8H2,1-2H3,(H2,15,20).
What are the key properties of 2-[1-(2-methoxyacetyl)piperidin-3-yl]-4-methylpyrimidine-5-carboxamide?
2-[1-(2-methoxyacetyl)piperidin-3-yl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyacetyl)piperidin-3-yl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 110088774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).