ethyl 1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate

C18H26N4O4 — CID 75538838

IUPACethyl 1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(C(=O)N3CCOCC3)nc(C)n2)CC1
InChIInChI=1S/C18H26N4O4/c1-3-26-18(24)14-4-6-21(7-5-14)16-12-15(19-13(2)20-16)17(23)22-8-10-25-11-9-22/h12,14H,3-11H2,1-2H3
InChIKeyLLUAROHNOXVWPI-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.04
Rot. Bonds4

About ethyl 1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate

ethyl 1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate (PubChem CID 75538838) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is ethyl 1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate
PubChem CID75538838
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Nameethyl 1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(C(=O)N3CCOCC3)nc(C)n2)CC1
InChIInChI=1S/C18H26N4O4/c1-3-26-18(24)14-4-6-21(7-5-14)16-12-15(19-13(2)20-16)17(23)22-8-10-25-11-9-22/h12,14H,3-11H2,1-2H3
InChIKeyLLUAROHNOXVWPI-UHFFFAOYSA-N
XLogP1.04
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate (CID 75538838) is ethyl 1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2cc(C(=O)N3CCOCC3)nc(C)n2)CC1.
What is the InChIKey of ethyl 1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate?
The InChIKey is LLUAROHNOXVWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-3-26-18(24)14-4-6-21(7-5-14)16-12-15(19-13(2)20-16)17(23)22-8-10-25-11-9-22/h12,14H,3-11H2,1-2H3.
What are the key properties of ethyl 1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate?
ethyl 1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate is sourced from PubChem (CID 75538838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).