3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one

C17H25NO2 — CID 124811218

IUPAC3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one
SMILESC[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCCC[C@H]2C)o1
InChIInChI=1S/C17H25NO2/c1-12-11-15(12)16-8-6-14(20-16)7-9-17(19)18-10-4-3-5-13(18)2/h6,8,12-13,15H,3-5,7,9-11H2,1-2H3/t12-,13-,15+/m1/s1
InChIKeyAOVYCUDSBDWJDJ-NFAWXSAZSA-N
MW275.39 g/mol
LogP3.74
Rot. Bonds4

About 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one

3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one (PubChem CID 124811218) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one
PubChem CID124811218
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one
SMILESC[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCCC[C@H]2C)o1
InChIInChI=1S/C17H25NO2/c1-12-11-15(12)16-8-6-14(20-16)7-9-17(19)18-10-4-3-5-13(18)2/h6,8,12-13,15H,3-5,7,9-11H2,1-2H3/t12-,13-,15+/m1/s1
InChIKeyAOVYCUDSBDWJDJ-NFAWXSAZSA-N
XLogP3.74
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one with MolForge

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Related Compounds

3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95770205
3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 94029312
3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-1-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 94488357
3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 95603605
3-methyl-4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-2-one
CID 63089357
3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 94120307
1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one
CID 55447935
1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]propan-1-one
CID 98761551
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one
CID 71942741
3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 94472444
N-[[(3R)-1-[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100854495
N-methoxy-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide
CID 94502622

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one?
The IUPAC name of 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one (CID 124811218) is 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one is C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCCC[C@H]2C)o1.
What is the InChIKey of 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one?
The InChIKey is AOVYCUDSBDWJDJ-NFAWXSAZSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-11-15(12)16-8-6-14(20-16)7-9-17(19)18-10-4-3-5-13(18)2/h6,8,12-13,15H,3-5,7,9-11H2,1-2H3/t12-,13-,15+/m1/s1.
What are the key properties of 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one?
3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one has a molecular weight of 275.39 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 124811218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).