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

C14H19N3O2 — CID 122160222

IUPAC2-cyclopropyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
SMILESO=C(CC1CC1)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C14H19N3O2/c18-13(9-11-4-5-11)17-8-1-3-12(10-17)19-14-15-6-2-7-16-14/h2,6-7,11-12H,1,3-5,8-10H2
InChIKeySTTKEVFLDKKEDH-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.65
Rot. Bonds4

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

2-cyclopropyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone (PubChem CID 122160222) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
PubChem CID122160222
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-cyclopropyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
SMILESO=C(CC1CC1)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C14H19N3O2/c18-13(9-11-4-5-11)17-8-1-3-12(10-17)19-14-15-6-2-7-16-14/h2,6-7,11-12H,1,3-5,8-10H2
InChIKeySTTKEVFLDKKEDH-UHFFFAOYSA-N
XLogP1.65
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-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-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122258510
2-chloro-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122257244
2-cyclohexyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122258293
3-methyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)pentan-1-one
CID 122257446
2-cyclopentyl-1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122257743
2-cyclopentyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone
CID 100638394
(4-butylcyclohexyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257240
pyridin-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122243549
2-cyclohexyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122259749
2-indol-1-yl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122257179
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-cyclopentylethanone
CID 122256170
(2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257276

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-cyclopropyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone (CID 122160222) is 2-cyclopropyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-cyclopropyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-cyclopropyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone is O=C(CC1CC1)N1CCCC(Oc2ncccn2)C1.
What is the InChIKey of 2-cyclopropyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone?
The InChIKey is STTKEVFLDKKEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-13(9-11-4-5-11)17-8-1-3-12(10-17)19-14-15-6-2-7-16-14/h2,6-7,11-12H,1,3-5,8-10H2.
What are the key properties of 2-cyclopropyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone?
2-cyclopropyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone has a molecular weight of 261.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 122160222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).