4-(2-piperidin-2-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one

C14H23N3O2 — CID 114586376

IUPAC4-(2-piperidin-2-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OCCC2CCCCN2)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-10(2)14-16-12(18)9-13(17-14)19-8-6-11-5-3-4-7-15-11/h9-11,15H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyTWZJSDWMKWDTGJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.80
Rot. Bonds5

About 4-(2-piperidin-2-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one

4-(2-piperidin-2-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 114586376) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-(2-piperidin-2-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-piperidin-2-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID114586376
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-(2-piperidin-2-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OCCC2CCCCN2)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-10(2)14-16-12(18)9-13(17-14)19-8-6-11-5-3-4-7-15-11/h9-11,15H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyTWZJSDWMKWDTGJ-UHFFFAOYSA-N
XLogP1.80
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-2-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-piperidin-2-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one (CID 114586376) is 4-(2-piperidin-2-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-piperidin-2-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-piperidin-2-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(OCCC2CCCCN2)cc(=O)[nH]1.
What is the InChIKey of 4-(2-piperidin-2-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is TWZJSDWMKWDTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)14-16-12(18)9-13(17-14)19-8-6-11-5-3-4-7-15-11/h9-11,15H,3-8H2,1-2H3,(H,16,17,18).
What are the key properties of 4-(2-piperidin-2-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(2-piperidin-2-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-2-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 114586376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).