1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

C18H28N4O3 — CID 42628126

IUPAC1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCCOc1cc(C)nc(N2CCC(C(=O)NCC3CCCO3)CC2)n1
InChIInChI=1S/C18H28N4O3/c1-3-24-16-11-13(2)20-18(21-16)22-8-6-14(7-9-22)17(23)19-12-15-5-4-10-25-15/h11,14-15H,3-10,12H2,1-2H3,(H,19,23)
InChIKeyYZAFROPQGWMLQY-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.70
Rot. Bonds6

About 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 42628126) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID42628126
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCCOc1cc(C)nc(N2CCC(C(=O)NCC3CCCO3)CC2)n1
InChIInChI=1S/C18H28N4O3/c1-3-24-16-11-13(2)20-18(21-16)22-8-6-14(7-9-22)17(23)19-12-15-5-4-10-25-15/h11,14-15H,3-10,12H2,1-2H3,(H,19,23)
InChIKeyYZAFROPQGWMLQY-UHFFFAOYSA-N
XLogP1.70
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 42628126) is 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is CCOc1cc(C)nc(N2CCC(C(=O)NCC3CCCO3)CC2)n1.
What is the InChIKey of 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is YZAFROPQGWMLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-3-24-16-11-13(2)20-18(21-16)22-8-6-14(7-9-22)17(23)19-12-15-5-4-10-25-15/h11,14-15H,3-10,12H2,1-2H3,(H,19,23).
What are the key properties of 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 42628126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).