methyl 2-[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]acetate

C14H21N3O3 — CID 66320365

IUPACmethyl 2-[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]acetate
SMILESCCOc1cc(N2CCCCC2CC(=O)OC)ncn1
InChIInChI=1S/C14H21N3O3/c1-3-20-13-9-12(15-10-16-13)17-7-5-4-6-11(17)8-14(18)19-2/h9-11H,3-8H2,1-2H3
InChIKeySZEDIENOVBDNKC-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.80
Rot. Bonds5

About methyl 2-[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]acetate

methyl 2-[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]acetate (PubChem CID 66320365) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]acetate
PubChem CID66320365
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Namemethyl 2-[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]acetate
SMILESCCOc1cc(N2CCCCC2CC(=O)OC)ncn1
InChIInChI=1S/C14H21N3O3/c1-3-20-13-9-12(15-10-16-13)17-7-5-4-6-11(17)8-14(18)19-2/h9-11H,3-8H2,1-2H3
InChIKeySZEDIENOVBDNKC-UHFFFAOYSA-N
XLogP1.80
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]acetate (CID 66320365) is methyl 2-[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]acetate is CCOc1cc(N2CCCCC2CC(=O)OC)ncn1.
What is the InChIKey of methyl 2-[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]acetate?
The InChIKey is SZEDIENOVBDNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-20-13-9-12(15-10-16-13)17-7-5-4-6-11(17)8-14(18)19-2/h9-11H,3-8H2,1-2H3.
What are the key properties of methyl 2-[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]acetate?
methyl 2-[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]acetate has a molecular weight of 279.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]acetate is sourced from PubChem (CID 66320365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).