N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]furan-2-carboxamide

C18H26N2O6 — CID 162923536

IUPACN-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]furan-2-carboxamide
SMILESCC1CCN(C(=O)C[C@H]2O[C@H](CNC(=O)c3ccco3)[C@@H](O)[C@H]2O)CC1
InChIInChI=1S/C18H26N2O6/c1-11-4-6-20(7-5-11)15(21)9-13-16(22)17(23)14(26-13)10-19-18(24)12-3-2-8-25-12/h2-3,8,11,13-14,16-17,22-23H,4-7,9-10H2,1H3,(H,19,24)/t13-,14-,16+,17-/m1/s1
InChIKeyLCJDJHCJCLRNRO-TXCZRRACSA-N
MW366.41 g/mol
LogP0.15
Rot. Bonds5

About N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]furan-2-carboxamide

N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]furan-2-carboxamide (PubChem CID 162923536) has the molecular formula C18H26N2O6 and a molecular weight of 366.41 g/mol. Its IUPAC name is N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]furan-2-carboxamide
PubChem CID162923536
Molecular FormulaC18H26N2O6
Molecular Weight366.41 g/mol
Exact Mass366.18
IUPAC NameN-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]furan-2-carboxamide
SMILESCC1CCN(C(=O)C[C@H]2O[C@H](CNC(=O)c3ccco3)[C@@H](O)[C@H]2O)CC1
InChIInChI=1S/C18H26N2O6/c1-11-4-6-20(7-5-11)15(21)9-13-16(22)17(23)14(26-13)10-19-18(24)12-3-2-8-25-12/h2-3,8,11,13-14,16-17,22-23H,4-7,9-10H2,1H3,(H,19,24)/t13-,14-,16+,17-/m1/s1
InChIKeyLCJDJHCJCLRNRO-TXCZRRACSA-N
XLogP0.15
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]furan-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[4-hydroxy-5-(hydroxymethyl)-3-(4-methylpiperidin-1-yl)oxolan-2-yl]methyl]furan-2-carboxamide
CID 74578465
N-[[5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]furan-2-carboxamide
CID 74451422
3-chloro-N-[[3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]-4-fluorobenzamide
CID 74737076
1-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]-3-(4-methylphenyl)urea
CID 25390237
N-(furan-2-carbonyl)-4-methylpiperidine-1-carboxamide
CID 110865978
N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
CID 60769782
N-[2-[(4-methylcyclohexyl)amino]ethyl]furan-2-carboxamide
CID 3156885
N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 51552986
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 7734234
N-[[(2R,3R,4S,5S)-3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]furan-2-carboxamide;dihydrochloride
CID 146118610
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide
CID 94017739
N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 24633715

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]furan-2-carboxamide (CID 162923536) is N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]furan-2-carboxamide is CC1CCN(C(=O)C[C@H]2O[C@H](CNC(=O)c3ccco3)[C@@H](O)[C@H]2O)CC1.
What is the InChIKey of N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]furan-2-carboxamide?
The InChIKey is LCJDJHCJCLRNRO-TXCZRRACSA-N. The full InChI is InChI=1S/C18H26N2O6/c1-11-4-6-20(7-5-11)15(21)9-13-16(22)17(23)14(26-13)10-19-18(24)12-3-2-8-25-12/h2-3,8,11,13-14,16-17,22-23H,4-7,9-10H2,1H3,(H,19,24)/t13-,14-,16+,17-/m1/s1.
What are the key properties of N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]furan-2-carboxamide?
N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]furan-2-carboxamide has a molecular weight of 366.41 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 162923536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).