ethyl 4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]piperidine-1-carboxylate

C19H30N4O4 — CID 78318999

IUPACethyl 4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(c3nc(OC)cc(OC)n3)CC2)CC1
InChIInChI=1S/C19H30N4O4/c1-4-27-19(24)23-11-7-15(8-12-23)22-9-5-14(6-10-22)18-20-16(25-2)13-17(21-18)26-3/h13-15H,4-12H2,1-3H3
InChIKeyOIVDEBFZOWXQNZ-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.29
Rot. Bonds5

About ethyl 4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]piperidine-1-carboxylate

ethyl 4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]piperidine-1-carboxylate (PubChem CID 78318999) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is ethyl 4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]piperidine-1-carboxylate
PubChem CID78318999
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Nameethyl 4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(c3nc(OC)cc(OC)n3)CC2)CC1
InChIInChI=1S/C19H30N4O4/c1-4-27-19(24)23-11-7-15(8-12-23)22-9-5-14(6-10-22)18-20-16(25-2)13-17(21-18)26-3/h13-15H,4-12H2,1-3H3
InChIKeyOIVDEBFZOWXQNZ-UHFFFAOYSA-N
XLogP2.29
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]piperidine-1-carboxylate (CID 78318999) is ethyl 4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC(c3nc(OC)cc(OC)n3)CC2)CC1.
What is the InChIKey of ethyl 4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]piperidine-1-carboxylate?
The InChIKey is OIVDEBFZOWXQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4/c1-4-27-19(24)23-11-7-15(8-12-23)22-9-5-14(6-10-22)18-20-16(25-2)13-17(21-18)26-3/h13-15H,4-12H2,1-3H3.
What are the key properties of ethyl 4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]piperidine-1-carboxylate?
ethyl 4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]piperidine-1-carboxylate has a molecular weight of 378.47 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 78318999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).