[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone

C20H25N3O2 — CID 100871926

IUPAC[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
SMILESCOc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H](c3cc(C)[nH]n3)C2)cc1
InChIInChI=1S/C20H25N3O2/c1-13-10-19(22-21-13)15-4-3-9-23(12-15)20(24)18-11-17(18)14-5-7-16(25-2)8-6-14/h5-8,10,15,17-18H,3-4,9,11-12H2,1-2H3,(H,21,22)/t15-,17+,18+/m1/s1
InChIKeySJDKIIYPGNSILF-NJAFHUGGSA-N
MW339.44 g/mol
LogP3.24
Rot. Bonds4

About [(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone

[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone (PubChem CID 100871926) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
PubChem CID100871926
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
SMILESCOc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H](c3cc(C)[nH]n3)C2)cc1
InChIInChI=1S/C20H25N3O2/c1-13-10-19(22-21-13)15-4-3-9-23(12-15)20(24)18-11-17(18)14-5-7-16(25-2)8-6-14/h5-8,10,15,17-18H,3-4,9,11-12H2,1-2H3,(H,21,22)/t15-,17+,18+/m1/s1
InChIKeySJDKIIYPGNSILF-NJAFHUGGSA-N
XLogP3.24
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 95781157
(3,5-dimethoxy-4-methylphenyl)-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 96514461
(1-methylpiperidin-2-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 71926857
2-(2-methoxyphenyl)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 96514522
(2,3-dimethoxyphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 71926795
(2-methoxy-3-pyridinyl)-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 96514391
[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 97004266
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 96514506
cyclopropyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 73168589
cyclopropyl-[(3S)-3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 99883367
(2,5-dimethylfuran-3-yl)-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 97004395
(2,5-dimethylfuran-3-yl)-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 97004396

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone (CID 100871926) is [(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone is COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H](c3cc(C)[nH]n3)C2)cc1.
What is the InChIKey of [(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is SJDKIIYPGNSILF-NJAFHUGGSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13-10-19(22-21-13)15-4-3-9-23(12-15)20(24)18-11-17(18)14-5-7-16(25-2)8-6-14/h5-8,10,15,17-18H,3-4,9,11-12H2,1-2H3,(H,21,22)/t15-,17+,18+/m1/s1.
What are the key properties of [(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 100871926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).