1-piperidin-1-yl-2-pyrimidin-2-yloxyethanone

C11H15N3O2 — CID 70703551

IUPAC1-piperidin-1-yl-2-pyrimidin-2-yloxyethanone
SMILESO=C(COc1ncccn1)N1CCCCC1
InChIInChI=1S/C11H15N3O2/c15-10(14-7-2-1-3-8-14)9-16-11-12-5-4-6-13-11/h4-6H,1-3,7-9H2
InChIKeyOKRASXREWKHKHD-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.87
Rot. Bonds3

About 1-piperidin-1-yl-2-pyrimidin-2-yloxyethanone

1-piperidin-1-yl-2-pyrimidin-2-yloxyethanone (PubChem CID 70703551) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-pyrimidin-2-yloxyethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-pyrimidin-2-yloxyethanone
PubChem CID70703551
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-piperidin-1-yl-2-pyrimidin-2-yloxyethanone
SMILESO=C(COc1ncccn1)N1CCCCC1
InChIInChI=1S/C11H15N3O2/c15-10(14-7-2-1-3-8-14)9-16-11-12-5-4-6-13-11/h4-6H,1-3,7-9H2
InChIKeyOKRASXREWKHKHD-UHFFFAOYSA-N
XLogP0.87
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-pyrimidin-2-yloxyethanone?
The IUPAC name of 1-piperidin-1-yl-2-pyrimidin-2-yloxyethanone (CID 70703551) is 1-piperidin-1-yl-2-pyrimidin-2-yloxyethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-pyrimidin-2-yloxyethanone?
The canonical SMILES for 1-piperidin-1-yl-2-pyrimidin-2-yloxyethanone is O=C(COc1ncccn1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-pyrimidin-2-yloxyethanone?
The InChIKey is OKRASXREWKHKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-10(14-7-2-1-3-8-14)9-16-11-12-5-4-6-13-11/h4-6H,1-3,7-9H2.
What are the key properties of 1-piperidin-1-yl-2-pyrimidin-2-yloxyethanone?
1-piperidin-1-yl-2-pyrimidin-2-yloxyethanone has a molecular weight of 221.26 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-pyrimidin-2-yloxyethanone is sourced from PubChem (CID 70703551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).