(3-pyrazin-2-yloxypiperidin-1-yl)-pyrimidin-2-ylmethanone

C14H15N5O2 — CID 91627911

IUPAC(3-pyrazin-2-yloxypiperidin-1-yl)-pyrimidin-2-ylmethanone
SMILESO=C(c1ncccn1)N1CCCC(Oc2cnccn2)C1
InChIInChI=1S/C14H15N5O2/c20-14(13-17-4-2-5-18-13)19-8-1-3-11(10-19)21-12-9-15-6-7-16-12/h2,4-7,9,11H,1,3,8,10H2
InChIKeyVMKHIAVFFVFBCN-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.95
Rot. Bonds3

About (3-pyrazin-2-yloxypiperidin-1-yl)-pyrimidin-2-ylmethanone

(3-pyrazin-2-yloxypiperidin-1-yl)-pyrimidin-2-ylmethanone (PubChem CID 91627911) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is (3-pyrazin-2-yloxypiperidin-1-yl)-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name(3-pyrazin-2-yloxypiperidin-1-yl)-pyrimidin-2-ylmethanone
PubChem CID91627911
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name(3-pyrazin-2-yloxypiperidin-1-yl)-pyrimidin-2-ylmethanone
SMILESO=C(c1ncccn1)N1CCCC(Oc2cnccn2)C1
InChIInChI=1S/C14H15N5O2/c20-14(13-17-4-2-5-18-13)19-8-1-3-11(10-19)21-12-9-15-6-7-16-12/h2,4-7,9,11H,1,3,8,10H2
InChIKeyVMKHIAVFFVFBCN-UHFFFAOYSA-N
XLogP0.95
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-pyrazin-2-yloxypiperidin-1-yl)-pyrimidin-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-pyrazin-2-yloxypiperidin-1-yl)-pyrimidin-2-ylmethanone?
The IUPAC name of (3-pyrazin-2-yloxypiperidin-1-yl)-pyrimidin-2-ylmethanone (CID 91627911) is (3-pyrazin-2-yloxypiperidin-1-yl)-pyrimidin-2-ylmethanone.
What is the SMILES notation for (3-pyrazin-2-yloxypiperidin-1-yl)-pyrimidin-2-ylmethanone?
The canonical SMILES for (3-pyrazin-2-yloxypiperidin-1-yl)-pyrimidin-2-ylmethanone is O=C(c1ncccn1)N1CCCC(Oc2cnccn2)C1.
What is the InChIKey of (3-pyrazin-2-yloxypiperidin-1-yl)-pyrimidin-2-ylmethanone?
The InChIKey is VMKHIAVFFVFBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c20-14(13-17-4-2-5-18-13)19-8-1-3-11(10-19)21-12-9-15-6-7-16-12/h2,4-7,9,11H,1,3,8,10H2.
What are the key properties of (3-pyrazin-2-yloxypiperidin-1-yl)-pyrimidin-2-ylmethanone?
(3-pyrazin-2-yloxypiperidin-1-yl)-pyrimidin-2-ylmethanone has a molecular weight of 285.31 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyrazin-2-yloxypiperidin-1-yl)-pyrimidin-2-ylmethanone is sourced from PubChem (CID 91627911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).