2-chloro-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone

C11H14ClN3O2 — CID 122257244

IUPAC2-chloro-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
SMILESO=C(CCl)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C11H14ClN3O2/c12-7-10(16)15-6-1-3-9(8-15)17-11-13-4-2-5-14-11/h2,4-5,9H,1,3,6-8H2
InChIKeyCJBOVLQOTHIAFO-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.09
Rot. Bonds3

About 2-chloro-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone

2-chloro-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone (PubChem CID 122257244) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-chloro-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
PubChem CID122257244
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name2-chloro-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
SMILESO=C(CCl)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C11H14ClN3O2/c12-7-10(16)15-6-1-3-9(8-15)17-11-13-4-2-5-14-11/h2,4-5,9H,1,3,6-8H2
InChIKeyCJBOVLQOTHIAFO-UHFFFAOYSA-N
XLogP1.09
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-cyclopropyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122160222
3-methyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)pentan-1-one
CID 122257446
3-chloro-1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]propan-1-one
CID 122259293
2-chloro-1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122260729
pyridin-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122243549
(3-pyrimidin-2-yloxypiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 122257461
2-indol-1-yl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122257179
2-chloro-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 122256173
(2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257276
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
CID 122257483
2-(4-methoxy-3-methylphenyl)-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122257488
2-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 110208245

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-chloro-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone (CID 122257244) is 2-chloro-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-chloro-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone is O=C(CCl)N1CCCC(Oc2ncccn2)C1.
What is the InChIKey of 2-chloro-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone?
The InChIKey is CJBOVLQOTHIAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c12-7-10(16)15-6-1-3-9(8-15)17-11-13-4-2-5-14-11/h2,4-5,9H,1,3,6-8H2.
What are the key properties of 2-chloro-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone?
2-chloro-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone has a molecular weight of 255.70 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 122257244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).