[(1R,2R)-2-phenylcyclopropyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone

C20H22N2O2 — CID 56643265

IUPAC[(1R,2R)-2-phenylcyclopropyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
SMILESO=C([C@@H]1C[C@H]1c1ccccc1)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C20H22N2O2/c23-20(19-13-18(19)15-5-2-1-3-6-15)22-11-8-16(9-12-22)24-17-7-4-10-21-14-17/h1-7,10,14,16,18-19H,8-9,11-13H2/t18-,19+/m0/s1
InChIKeyAOIFUEUGIZLZTJ-RBUKOAKNSA-N
MW322.41 g/mol
LogP3.26
Rot. Bonds4

About [(1R,2R)-2-phenylcyclopropyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone

[(1R,2R)-2-phenylcyclopropyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone (PubChem CID 56643265) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is [(1R,2R)-2-phenylcyclopropyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(1R,2R)-2-phenylcyclopropyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
PubChem CID56643265
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name[(1R,2R)-2-phenylcyclopropyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
SMILESO=C([C@@H]1C[C@H]1c1ccccc1)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C20H22N2O2/c23-20(19-13-18(19)15-5-2-1-3-6-15)22-11-8-16(9-12-22)24-17-7-4-10-21-14-17/h1-7,10,14,16,18-19H,8-9,11-13H2/t18-,19+/m0/s1
InChIKeyAOIFUEUGIZLZTJ-RBUKOAKNSA-N
XLogP3.26
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-phenylcyclopropyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The IUPAC name of [(1R,2R)-2-phenylcyclopropyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone (CID 56643265) is [(1R,2R)-2-phenylcyclopropyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for [(1R,2R)-2-phenylcyclopropyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The canonical SMILES for [(1R,2R)-2-phenylcyclopropyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone is O=C([C@@H]1C[C@H]1c1ccccc1)N1CCC(Oc2cccnc2)CC1.
What is the InChIKey of [(1R,2R)-2-phenylcyclopropyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The InChIKey is AOIFUEUGIZLZTJ-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-20(19-13-18(19)15-5-2-1-3-6-15)22-11-8-16(9-12-22)24-17-7-4-10-21-14-17/h1-7,10,14,16,18-19H,8-9,11-13H2/t18-,19+/m0/s1.
What are the key properties of [(1R,2R)-2-phenylcyclopropyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
[(1R,2R)-2-phenylcyclopropyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone has a molecular weight of 322.41 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-phenylcyclopropyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 56643265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).