2-[1-(2-methoxyethyl)piperidin-3-yl]-N,N,4-trimethylpyrimidine-5-carboxamide

C16H26N4O2 — CID 110248985

IUPAC2-[1-(2-methoxyethyl)piperidin-3-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
SMILESCOCCN1CCCC(c2ncc(C(=O)N(C)C)c(C)n2)C1
InChIInChI=1S/C16H26N4O2/c1-12-14(16(21)19(2)3)10-17-15(18-12)13-6-5-7-20(11-13)8-9-22-4/h10,13H,5-9,11H2,1-4H3
InChIKeyFMSKHHMKAFTKLA-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.31
Rot. Bonds5

About 2-[1-(2-methoxyethyl)piperidin-3-yl]-N,N,4-trimethylpyrimidine-5-carboxamide

2-[1-(2-methoxyethyl)piperidin-3-yl]-N,N,4-trimethylpyrimidine-5-carboxamide (PubChem CID 110248985) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)piperidin-3-yl]-N,N,4-trimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)piperidin-3-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
PubChem CID110248985
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-[1-(2-methoxyethyl)piperidin-3-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
SMILESCOCCN1CCCC(c2ncc(C(=O)N(C)C)c(C)n2)C1
InChIInChI=1S/C16H26N4O2/c1-12-14(16(21)19(2)3)10-17-15(18-12)13-6-5-7-20(11-13)8-9-22-4/h10,13H,5-9,11H2,1-4H3
InChIKeyFMSKHHMKAFTKLA-UHFFFAOYSA-N
XLogP1.31
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)piperidin-3-yl]-N,N,4-trimethylpyrimidine-5-carboxamide?
The IUPAC name of 2-[1-(2-methoxyethyl)piperidin-3-yl]-N,N,4-trimethylpyrimidine-5-carboxamide (CID 110248985) is 2-[1-(2-methoxyethyl)piperidin-3-yl]-N,N,4-trimethylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[1-(2-methoxyethyl)piperidin-3-yl]-N,N,4-trimethylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[1-(2-methoxyethyl)piperidin-3-yl]-N,N,4-trimethylpyrimidine-5-carboxamide is COCCN1CCCC(c2ncc(C(=O)N(C)C)c(C)n2)C1.
What is the InChIKey of 2-[1-(2-methoxyethyl)piperidin-3-yl]-N,N,4-trimethylpyrimidine-5-carboxamide?
The InChIKey is FMSKHHMKAFTKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12-14(16(21)19(2)3)10-17-15(18-12)13-6-5-7-20(11-13)8-9-22-4/h10,13H,5-9,11H2,1-4H3.
What are the key properties of 2-[1-(2-methoxyethyl)piperidin-3-yl]-N,N,4-trimethylpyrimidine-5-carboxamide?
2-[1-(2-methoxyethyl)piperidin-3-yl]-N,N,4-trimethylpyrimidine-5-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)piperidin-3-yl]-N,N,4-trimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 110248985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).