ethyl 1-[6-(oxolan-2-yl)pyrimidin-4-yl]piperidine-3-carboxylate

C16H23N3O3 — CID 126849901

IUPACethyl 1-[6-(oxolan-2-yl)pyrimidin-4-yl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2cc(C3CCCO3)ncn2)C1
InChIInChI=1S/C16H23N3O3/c1-2-21-16(20)12-5-3-7-19(10-12)15-9-13(17-11-18-15)14-6-4-8-22-14/h9,11-12,14H,2-8,10H2,1H3
InChIKeyKWXMVXWWNHUGMU-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.11
Rot. Bonds4

About ethyl 1-[6-(oxolan-2-yl)pyrimidin-4-yl]piperidine-3-carboxylate

ethyl 1-[6-(oxolan-2-yl)pyrimidin-4-yl]piperidine-3-carboxylate (PubChem CID 126849901) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is ethyl 1-[6-(oxolan-2-yl)pyrimidin-4-yl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[6-(oxolan-2-yl)pyrimidin-4-yl]piperidine-3-carboxylate
PubChem CID126849901
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Nameethyl 1-[6-(oxolan-2-yl)pyrimidin-4-yl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2cc(C3CCCO3)ncn2)C1
InChIInChI=1S/C16H23N3O3/c1-2-21-16(20)12-5-3-7-19(10-12)15-9-13(17-11-18-15)14-6-4-8-22-14/h9,11-12,14H,2-8,10H2,1H3
InChIKeyKWXMVXWWNHUGMU-UHFFFAOYSA-N
XLogP2.11
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(oxolan-2-yl)-6-pyrrolidin-1-ylpyrimidine
CID 126848843
ethyl 1-(6-propan-2-yloxypyrimidin-4-yl)piperidine-3-carboxylate
CID 66332836
ethyl 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylate
CID 126849578
ethyl 1-[6-(oxan-4-yl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 126850161
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
ethyl 1-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]piperidine-3-carboxylate
CID 42808596
ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate
CID 62005482
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
tert-butyl N-methyl-N-[1-[6-(oxolan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate
CID 126849898
ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate
CID 113482815

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[6-(oxolan-2-yl)pyrimidin-4-yl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[6-(oxolan-2-yl)pyrimidin-4-yl]piperidine-3-carboxylate (CID 126849901) is ethyl 1-[6-(oxolan-2-yl)pyrimidin-4-yl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[6-(oxolan-2-yl)pyrimidin-4-yl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[6-(oxolan-2-yl)pyrimidin-4-yl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2cc(C3CCCO3)ncn2)C1.
What is the InChIKey of ethyl 1-[6-(oxolan-2-yl)pyrimidin-4-yl]piperidine-3-carboxylate?
The InChIKey is KWXMVXWWNHUGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-2-21-16(20)12-5-3-7-19(10-12)15-9-13(17-11-18-15)14-6-4-8-22-14/h9,11-12,14H,2-8,10H2,1H3.
What are the key properties of ethyl 1-[6-(oxolan-2-yl)pyrimidin-4-yl]piperidine-3-carboxylate?
ethyl 1-[6-(oxolan-2-yl)pyrimidin-4-yl]piperidine-3-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[6-(oxolan-2-yl)pyrimidin-4-yl]piperidine-3-carboxylate is sourced from PubChem (CID 126849901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).