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

C18H26N2O3 — CID 124850699

IUPAC[(1S,2S)-2-(furan-2-yl)cyclopropyl]-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone
SMILESC[C@@H]1CN(C2CCN(C(=O)[C@H]3C[C@@H]3c3ccco3)CC2)CCO1
InChIInChI=1S/C18H26N2O3/c1-13-12-20(8-10-22-13)14-4-6-19(7-5-14)18(21)16-11-15(16)17-3-2-9-23-17/h2-3,9,13-16H,4-8,10-12H2,1H3/t13-,15+,16+/m1/s1
InChIKeyZQBIQNAILHIKFR-KBMXLJTQSA-N
MW318.42 g/mol
LogP2.09
Rot. Bonds3

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

[(1S,2S)-2-(furan-2-yl)cyclopropyl]-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone (PubChem CID 124850699) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is [(1S,2S)-2-(furan-2-yl)cyclopropyl]-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,2S)-2-(furan-2-yl)cyclopropyl]-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone
PubChem CID124850699
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name[(1S,2S)-2-(furan-2-yl)cyclopropyl]-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone
SMILESC[C@@H]1CN(C2CCN(C(=O)[C@H]3C[C@@H]3c3ccco3)CC2)CCO1
InChIInChI=1S/C18H26N2O3/c1-13-12-20(8-10-22-13)14-4-6-19(7-5-14)18(21)16-11-15(16)17-3-2-9-23-17/h2-3,9,13-16H,4-8,10-12H2,1H3/t13-,15+,16+/m1/s1
InChIKeyZQBIQNAILHIKFR-KBMXLJTQSA-N
XLogP2.09
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

[2-(furan-2-yl)cyclopropyl]-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
CID 56820962
aziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone
CID 130606481
[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
[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95580633
[(3R)-1-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 99845766
ethyl 4-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 97029153
[4-(2-ethoxyphenyl)piperidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
CID 56821879
[(1R,2R)-2-(furan-2-yl)cyclopropyl]-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 124850593
1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 60558230
[(1R,2R)-2-(furan-2-yl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 95588006
(5-amino-2-methylphenyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
CID 120645207

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(furan-2-yl)cyclopropyl]-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of [(1S,2S)-2-(furan-2-yl)cyclopropyl]-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone (CID 124850699) is [(1S,2S)-2-(furan-2-yl)cyclopropyl]-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [(1S,2S)-2-(furan-2-yl)cyclopropyl]-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for [(1S,2S)-2-(furan-2-yl)cyclopropyl]-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone is C[C@@H]1CN(C2CCN(C(=O)[C@H]3C[C@@H]3c3ccco3)CC2)CCO1.
What is the InChIKey of [(1S,2S)-2-(furan-2-yl)cyclopropyl]-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone?
The InChIKey is ZQBIQNAILHIKFR-KBMXLJTQSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13-12-20(8-10-22-13)14-4-6-19(7-5-14)18(21)16-11-15(16)17-3-2-9-23-17/h2-3,9,13-16H,4-8,10-12H2,1H3/t13-,15+,16+/m1/s1.
What are the key properties of [(1S,2S)-2-(furan-2-yl)cyclopropyl]-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone?
[(1S,2S)-2-(furan-2-yl)cyclopropyl]-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone has a molecular weight of 318.42 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(furan-2-yl)cyclopropyl]-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 124850699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).