3-ethoxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one

C19H30N4O3 — CID 70775984

IUPAC3-ethoxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
SMILESCCOCCC(=O)N1CCCC(c2cc(N3CCOCC3)nc(C)n2)C1
InChIInChI=1S/C19H30N4O3/c1-3-25-10-6-19(24)23-7-4-5-16(14-23)17-13-18(21-15(2)20-17)22-8-11-26-12-9-22/h13,16H,3-12,14H2,1-2H3
InChIKeyIPNCQSPRXKPKOA-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.75
Rot. Bonds6

About 3-ethoxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one

3-ethoxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one (PubChem CID 70775984) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 3-ethoxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-ethoxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
PubChem CID70775984
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name3-ethoxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
SMILESCCOCCC(=O)N1CCCC(c2cc(N3CCOCC3)nc(C)n2)C1
InChIInChI=1S/C19H30N4O3/c1-3-25-10-6-19(24)23-7-4-5-16(14-23)17-13-18(21-15(2)20-17)22-8-11-26-12-9-22/h13,16H,3-12,14H2,1-2H3
InChIKeyIPNCQSPRXKPKOA-UHFFFAOYSA-N
XLogP1.75
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-ethoxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one (CID 70775984) is 3-ethoxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-ethoxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-ethoxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one is CCOCCC(=O)N1CCCC(c2cc(N3CCOCC3)nc(C)n2)C1.
What is the InChIKey of 3-ethoxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one?
The InChIKey is IPNCQSPRXKPKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-3-25-10-6-19(24)23-7-4-5-16(14-23)17-13-18(21-15(2)20-17)22-8-11-26-12-9-22/h13,16H,3-12,14H2,1-2H3.
What are the key properties of 3-ethoxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one?
3-ethoxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one has a molecular weight of 362.47 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 70775984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).