(4-chloro-6-oxopyrimidin-1-yl)methyl 4-hydroxypiperidine-1-carboxylate

C11H14ClN3O4 — CID 142754341

IUPAC(4-chloro-6-oxopyrimidin-1-yl)methyl 4-hydroxypiperidine-1-carboxylate
SMILESO=C(OCn1cnc(Cl)cc1=O)N1CCC(O)CC1
InChIInChI=1S/C11H14ClN3O4/c12-9-5-10(17)15(6-13-9)7-19-11(18)14-3-1-8(16)2-4-14/h5-6,8,16H,1-4,7H2
InChIKeyFRQAPOLHBZOWGO-UHFFFAOYSA-N
MW287.70 g/mol
LogP0.45
Rot. Bonds2

About (4-chloro-6-oxopyrimidin-1-yl)methyl 4-hydroxypiperidine-1-carboxylate

(4-chloro-6-oxopyrimidin-1-yl)methyl 4-hydroxypiperidine-1-carboxylate (PubChem CID 142754341) has the molecular formula C11H14ClN3O4 and a molecular weight of 287.70 g/mol. Its IUPAC name is (4-chloro-6-oxopyrimidin-1-yl)methyl 4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Name(4-chloro-6-oxopyrimidin-1-yl)methyl 4-hydroxypiperidine-1-carboxylate
PubChem CID142754341
Molecular FormulaC11H14ClN3O4
Molecular Weight287.70 g/mol
Exact Mass287.07
IUPAC Name(4-chloro-6-oxopyrimidin-1-yl)methyl 4-hydroxypiperidine-1-carboxylate
SMILESO=C(OCn1cnc(Cl)cc1=O)N1CCC(O)CC1
InChIInChI=1S/C11H14ClN3O4/c12-9-5-10(17)15(6-13-9)7-19-11(18)14-3-1-8(16)2-4-14/h5-6,8,16H,1-4,7H2
InChIKeyFRQAPOLHBZOWGO-UHFFFAOYSA-N
XLogP0.45
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-6-oxopyrimidin-1-yl)methyl 4-hydroxypiperidine-1-carboxylate?
The IUPAC name of (4-chloro-6-oxopyrimidin-1-yl)methyl 4-hydroxypiperidine-1-carboxylate (CID 142754341) is (4-chloro-6-oxopyrimidin-1-yl)methyl 4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for (4-chloro-6-oxopyrimidin-1-yl)methyl 4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for (4-chloro-6-oxopyrimidin-1-yl)methyl 4-hydroxypiperidine-1-carboxylate is O=C(OCn1cnc(Cl)cc1=O)N1CCC(O)CC1.
What is the InChIKey of (4-chloro-6-oxopyrimidin-1-yl)methyl 4-hydroxypiperidine-1-carboxylate?
The InChIKey is FRQAPOLHBZOWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O4/c12-9-5-10(17)15(6-13-9)7-19-11(18)14-3-1-8(16)2-4-14/h5-6,8,16H,1-4,7H2.
What are the key properties of (4-chloro-6-oxopyrimidin-1-yl)methyl 4-hydroxypiperidine-1-carboxylate?
(4-chloro-6-oxopyrimidin-1-yl)methyl 4-hydroxypiperidine-1-carboxylate has a molecular weight of 287.70 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-6-oxopyrimidin-1-yl)methyl 4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 142754341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).