ethyl 1-(6-propan-2-yloxypyrimidin-4-yl)piperidine-3-carboxylate

C15H23N3O3 — CID 66332836

IUPACethyl 1-(6-propan-2-yloxypyrimidin-4-yl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2cc(OC(C)C)ncn2)C1
InChIInChI=1S/C15H23N3O3/c1-4-20-15(19)12-6-5-7-18(9-12)13-8-14(17-10-16-13)21-11(2)3/h8,10-12H,4-7,9H2,1-3H3
InChIKeyZRBHFQJXCLJRTE-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.04
Rot. Bonds5

About ethyl 1-(6-propan-2-yloxypyrimidin-4-yl)piperidine-3-carboxylate

ethyl 1-(6-propan-2-yloxypyrimidin-4-yl)piperidine-3-carboxylate (PubChem CID 66332836) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 1-(6-propan-2-yloxypyrimidin-4-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-propan-2-yloxypyrimidin-4-yl)piperidine-3-carboxylate
PubChem CID66332836
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nameethyl 1-(6-propan-2-yloxypyrimidin-4-yl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2cc(OC(C)C)ncn2)C1
InChIInChI=1S/C15H23N3O3/c1-4-20-15(19)12-6-5-7-18(9-12)13-8-14(17-10-16-13)21-11(2)3/h8,10-12H,4-7,9H2,1-3H3
InChIKeyZRBHFQJXCLJRTE-UHFFFAOYSA-N
XLogP2.04
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylate
CID 126849578
ethyl 1-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]piperidine-3-carboxylate
CID 42808596
ethyl 1-[6-(oxolan-2-yl)pyrimidin-4-yl]piperidine-3-carboxylate
CID 126849901
ethyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylate
CID 60651536
ethyl 1-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylate
CID 19137273
ethyl 1-(4-nitro-2-pyridinyl)piperidine-3-carboxylate
CID 62006232
(3S)-N,N-diethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3-carboxamide
CID 95125854
ethyl 1-(5-cyano-2-pyridinyl)piperidine-3-carboxylate
CID 24704715
ethyl 1-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 90520476
ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate
CID 62005482
1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 86795906
ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate
CID 113482815

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-propan-2-yloxypyrimidin-4-yl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(6-propan-2-yloxypyrimidin-4-yl)piperidine-3-carboxylate (CID 66332836) is ethyl 1-(6-propan-2-yloxypyrimidin-4-yl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(6-propan-2-yloxypyrimidin-4-yl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(6-propan-2-yloxypyrimidin-4-yl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2cc(OC(C)C)ncn2)C1.
What is the InChIKey of ethyl 1-(6-propan-2-yloxypyrimidin-4-yl)piperidine-3-carboxylate?
The InChIKey is ZRBHFQJXCLJRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-20-15(19)12-6-5-7-18(9-12)13-8-14(17-10-16-13)21-11(2)3/h8,10-12H,4-7,9H2,1-3H3.
What are the key properties of ethyl 1-(6-propan-2-yloxypyrimidin-4-yl)piperidine-3-carboxylate?
ethyl 1-(6-propan-2-yloxypyrimidin-4-yl)piperidine-3-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-propan-2-yloxypyrimidin-4-yl)piperidine-3-carboxylate is sourced from PubChem (CID 66332836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).