oxolan-3-yl 4-pyrimidin-2-ylpiperidine-1-carboxylate

C14H19N3O3 — CID 154786047

IUPACoxolan-3-yl 4-pyrimidin-2-ylpiperidine-1-carboxylate
SMILESO=C(OC1CCOC1)N1CCC(c2ncccn2)CC1
InChIInChI=1S/C14H19N3O3/c18-14(20-12-4-9-19-10-12)17-7-2-11(3-8-17)13-15-5-1-6-16-13/h1,5-6,11-12H,2-4,7-10H2
InChIKeySOOHMUOKTNVKSK-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.58
Rot. Bonds2

About oxolan-3-yl 4-pyrimidin-2-ylpiperidine-1-carboxylate

oxolan-3-yl 4-pyrimidin-2-ylpiperidine-1-carboxylate (PubChem CID 154786047) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is oxolan-3-yl 4-pyrimidin-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameoxolan-3-yl 4-pyrimidin-2-ylpiperidine-1-carboxylate
PubChem CID154786047
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Nameoxolan-3-yl 4-pyrimidin-2-ylpiperidine-1-carboxylate
SMILESO=C(OC1CCOC1)N1CCC(c2ncccn2)CC1
InChIInChI=1S/C14H19N3O3/c18-14(20-12-4-9-19-10-12)17-7-2-11(3-8-17)13-15-5-1-6-16-13/h1,5-6,11-12H,2-4,7-10H2
InChIKeySOOHMUOKTNVKSK-UHFFFAOYSA-N
XLogP1.58
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 4-pyrimidin-2-ylpiperidine-1-carboxylate?
The IUPAC name of oxolan-3-yl 4-pyrimidin-2-ylpiperidine-1-carboxylate (CID 154786047) is oxolan-3-yl 4-pyrimidin-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for oxolan-3-yl 4-pyrimidin-2-ylpiperidine-1-carboxylate?
The canonical SMILES for oxolan-3-yl 4-pyrimidin-2-ylpiperidine-1-carboxylate is O=C(OC1CCOC1)N1CCC(c2ncccn2)CC1.
What is the InChIKey of oxolan-3-yl 4-pyrimidin-2-ylpiperidine-1-carboxylate?
The InChIKey is SOOHMUOKTNVKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-14(20-12-4-9-19-10-12)17-7-2-11(3-8-17)13-15-5-1-6-16-13/h1,5-6,11-12H,2-4,7-10H2.
What are the key properties of oxolan-3-yl 4-pyrimidin-2-ylpiperidine-1-carboxylate?
oxolan-3-yl 4-pyrimidin-2-ylpiperidine-1-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 4-pyrimidin-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 154786047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).