[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone

C17H21N3O2 — CID 95382967

IUPAC[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
SMILESCc1cnn([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3c3ccco3)C2)c1
InChIInChI=1S/C17H21N3O2/c1-12-9-18-20(10-12)13-4-2-6-19(11-13)17(21)15-8-14(15)16-5-3-7-22-16/h3,5,7,9-10,13-15H,2,4,6,8,11H2,1H3/t13-,14+,15-/m1/s1
InChIKeyXUPCCHJAUIQZIO-QLFBSQMISA-N
MW299.37 g/mol
LogP2.75
Rot. Bonds3

About [(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone

[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone (PubChem CID 95382967) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is [(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
PubChem CID95382967
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
SMILESCc1cnn([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3c3ccco3)C2)c1
InChIInChI=1S/C17H21N3O2/c1-12-9-18-20(10-12)13-4-2-6-19(11-13)17(21)15-8-14(15)16-5-3-7-22-16/h3,5,7,9-10,13-15H,2,4,6,8,11H2,1H3/t13-,14+,15-/m1/s1
InChIKeyXUPCCHJAUIQZIO-QLFBSQMISA-N
XLogP2.75
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3R)-1-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 99845766
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95286307
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]methanone
CID 95284553
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95606751
aziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone
CID 130606481
[(1S,2R)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 129428981
[1-[2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 75417680
[1-[(1R,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 95179871
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 95383312
(3-aminophenyl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119881469
2-amino-2-methyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 119881436
N-cyclohexyl-1-[2-(furan-2-yl)cyclopropanecarbonyl]piperidine-3-carboxamide
CID 75405699

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of [(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone (CID 95382967) is [(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone is Cc1cnn([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3c3ccco3)C2)c1.
What is the InChIKey of [(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is XUPCCHJAUIQZIO-QLFBSQMISA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-9-18-20(10-12)13-4-2-6-19(11-13)17(21)15-8-14(15)16-5-3-7-22-16/h3,5,7,9-10,13-15H,2,4,6,8,11H2,1H3/t13-,14+,15-/m1/s1.
What are the key properties of [(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone?
[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 299.37 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95382967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).