[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone

C20H25N3O2 — CID 98758129

IUPAC[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCOc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](n2ccnc2C)C1
InChIInChI=1S/C20H25N3O2/c1-14-21-9-11-23(14)15-6-5-10-22(13-15)20(24)18-12-17(18)16-7-3-4-8-19(16)25-2/h3-4,7-9,11,15,17-18H,5-6,10,12-13H2,1-2H3/t15-,17-,18+/m0/s1
InChIKeyQXHMTWLFDSQCMW-RYQLBKOJSA-N
MW339.44 g/mol
LogP3.17
Rot. Bonds4

About [(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone

[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone (PubChem CID 98758129) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
PubChem CID98758129
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCOc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](n2ccnc2C)C1
InChIInChI=1S/C20H25N3O2/c1-14-21-9-11-23(14)15-6-5-10-22(13-15)20(24)18-12-17(18)16-7-3-4-8-19(16)25-2/h3-4,7-9,11,15,17-18H,5-6,10,12-13H2,1-2H3/t15-,17-,18+/m0/s1
InChIKeyQXHMTWLFDSQCMW-RYQLBKOJSA-N
XLogP3.17
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100840689
[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone
CID 154755631
[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]methanone
CID 129448843
[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95336246
(4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 95284754
[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95326507
[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 95334679
[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(2R)-1-methylsulfonylpyrrolidin-2-yl]methanone
CID 95606419
[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 124853798
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 124853797
imidazo[1,2-a]pyridin-2-yl-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95342530
[(2S)-2,3-dihydro-1,4-benzoxathiin-2-yl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95329353

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of [(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone (CID 98758129) is [(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone is COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](n2ccnc2C)C1.
What is the InChIKey of [(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is QXHMTWLFDSQCMW-RYQLBKOJSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-21-9-11-23(14)15-6-5-10-22(13-15)20(24)18-12-17(18)16-7-3-4-8-19(16)25-2/h3-4,7-9,11,15,17-18H,5-6,10,12-13H2,1-2H3/t15-,17-,18+/m0/s1.
What are the key properties of [(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone?
[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 98758129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).