5-cyclopentyl-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one

C14H21N3O2 — CID 112569498

IUPAC5-cyclopentyl-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCNCC2)nc(O)c1C1CCCC1
InChIInChI=1S/C14H21N3O2/c18-13-11(9-3-1-2-4-9)14(19)17-12(16-13)10-5-7-15-8-6-10/h9-10,15H,1-8H2,(H2,16,17,18,19)
InChIKeyVGUYYLCHLLXSAF-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.60
Rot. Bonds2

About 5-cyclopentyl-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one

5-cyclopentyl-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one (PubChem CID 112569498) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-cyclopentyl-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopentyl-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one
PubChem CID112569498
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-cyclopentyl-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCNCC2)nc(O)c1C1CCCC1
InChIInChI=1S/C14H21N3O2/c18-13-11(9-3-1-2-4-9)14(19)17-12(16-13)10-5-7-15-8-6-10/h9-10,15H,1-8H2,(H2,16,17,18,19)
InChIKeyVGUYYLCHLLXSAF-UHFFFAOYSA-N
XLogP1.60
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopentyl-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one (CID 112569498) is 5-cyclopentyl-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopentyl-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopentyl-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one is O=c1[nH]c(C2CCNCC2)nc(O)c1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one?
The InChIKey is VGUYYLCHLLXSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-13-11(9-3-1-2-4-9)14(19)17-12(16-13)10-5-7-15-8-6-10/h9-10,15H,1-8H2,(H2,16,17,18,19).
What are the key properties of 5-cyclopentyl-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one?
5-cyclopentyl-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 1.60, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 112569498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).