[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone

C18H28N2O4 — CID 91772141

IUPAC[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone
SMILESCCO[C@H]1CN(C(=O)c2ccc(CN3CCC(C)CC3)o2)C[C@@H]1O
InChIInChI=1S/C18H28N2O4/c1-3-23-17-12-20(11-15(17)21)18(22)16-5-4-14(24-16)10-19-8-6-13(2)7-9-19/h4-5,13,15,17,21H,3,6-12H2,1-2H3/t15-,17-/m0/s1
InChIKeyLMWAFKQQNVXMSB-RDJZCZTQSA-N
MW336.43 g/mol
LogP1.73
Rot. Bonds5

About [(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone

[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone (PubChem CID 91772141) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is [(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone.

Molecular Properties

Compound Name[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone
PubChem CID91772141
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone
SMILESCCO[C@H]1CN(C(=O)c2ccc(CN3CCC(C)CC3)o2)C[C@@H]1O
InChIInChI=1S/C18H28N2O4/c1-3-23-17-12-20(11-15(17)21)18(22)16-5-4-14(24-16)10-19-8-6-13(2)7-9-19/h4-5,13,15,17,21H,3,6-12H2,1-2H3/t15-,17-/m0/s1
InChIKeyLMWAFKQQNVXMSB-RDJZCZTQSA-N
XLogP1.73
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone with MolForge

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Related Compounds

[3-(4-fluorophenoxy)azetidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone
CID 90650035
[5-[(4-hydroxypiperidin-1-yl)methyl]furan-2-yl]-piperidin-1-ylmethanone
CID 15675405
(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone
CID 72889339
[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 72850046
N-[(3S,4R)-3-ethoxyoxan-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 91794402
[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 72859934
ethyl 5-[(3-aminopyrrolidin-1-yl)methyl]furan-2-carboxylate;dihydrochloride
CID 167768464
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide;dihydrochloride
CID 154895469
[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 70713605
[4-(dimethylamino)azepan-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 56897720
[5-[(3-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanol
CID 115882309
N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide
CID 99992781

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone?
The IUPAC name of [(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone (CID 91772141) is [(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone.
What is the SMILES notation for [(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone?
The canonical SMILES for [(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone is CCO[C@H]1CN(C(=O)c2ccc(CN3CCC(C)CC3)o2)C[C@@H]1O.
What is the InChIKey of [(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone?
The InChIKey is LMWAFKQQNVXMSB-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-3-23-17-12-20(11-15(17)21)18(22)16-5-4-14(24-16)10-19-8-6-13(2)7-9-19/h4-5,13,15,17,21H,3,6-12H2,1-2H3/t15-,17-/m0/s1.
What are the key properties of [(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone?
[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone has a molecular weight of 336.43 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone is sourced from PubChem (CID 91772141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).