N-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-1-(3-phenylpropanoyl)piperidine-2-carboxamide

C18H26N2O6 — CID 123825620

IUPACN-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-1-(3-phenylpropanoyl)piperidine-2-carboxamide
SMILESCCNC(=O)C1C(O)C(O)C(O)C(CO)N1C(=O)CCc1ccccc1
InChIInChI=1S/C18H26N2O6/c1-2-19-18(26)14-16(24)17(25)15(23)12(10-21)20(14)13(22)9-8-11-6-4-3-5-7-11/h3-7,12,14-17,21,23-25H,2,8-10H2,1H3,(H,19,26)
InChIKeyYQAGXRGOSGZNPT-UHFFFAOYSA-N
MW366.41 g/mol
LogP-1.59
Rot. Bonds6

About N-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-1-(3-phenylpropanoyl)piperidine-2-carboxamide

N-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-1-(3-phenylpropanoyl)piperidine-2-carboxamide (PubChem CID 123825620) has the molecular formula C18H26N2O6 and a molecular weight of 366.41 g/mol. Its IUPAC name is N-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-1-(3-phenylpropanoyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-1-(3-phenylpropanoyl)piperidine-2-carboxamide
PubChem CID123825620
Molecular FormulaC18H26N2O6
Molecular Weight366.41 g/mol
Exact Mass366.18
IUPAC NameN-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-1-(3-phenylpropanoyl)piperidine-2-carboxamide
SMILESCCNC(=O)C1C(O)C(O)C(O)C(CO)N1C(=O)CCc1ccccc1
InChIInChI=1S/C18H26N2O6/c1-2-19-18(26)14-16(24)17(25)15(23)12(10-21)20(14)13(22)9-8-11-6-4-3-5-7-11/h3-7,12,14-17,21,23-25H,2,8-10H2,1H3,(H,19,26)
InChIKeyYQAGXRGOSGZNPT-UHFFFAOYSA-N
XLogP-1.59
TPSA130.33 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 5-1.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-3,4,5-trihydroxy-6-methyl-1-(2-phenylethyl)piperidine-2-carboxamide
CID 123703055
(2S,3R,4R,5R,6S)-6-(difluoromethyl)-N-ethyl-3,4,5-trihydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide
CID 73335455
2-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-[3-(4-phenylphenyl)propyl]pyrrolidin-2-yl]-N-ethylacetamide
CID 73388626
tert-butyl (2S,3S,4R,5R)-1-benzyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxylate
CID 71484387
1-benzyl-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
CID 67340937
N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 90005133
N-(2,2-dimethylpropyl)-3-phenylpropanamide
CID 100801997
methyl (2S,4S)-4-chloro-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate
CID 70092662
methyl 4-hydroxy-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate
CID 115970990
1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 48866992
N-ethyl-6-phenylhexanamide
CID 70953257
ethyl carbonochloridate;3-phenylpropanoic acid
CID 174421016

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-1-(3-phenylpropanoyl)piperidine-2-carboxamide?
The IUPAC name of N-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-1-(3-phenylpropanoyl)piperidine-2-carboxamide (CID 123825620) is N-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-1-(3-phenylpropanoyl)piperidine-2-carboxamide.
What is the SMILES notation for N-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-1-(3-phenylpropanoyl)piperidine-2-carboxamide?
The canonical SMILES for N-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-1-(3-phenylpropanoyl)piperidine-2-carboxamide is CCNC(=O)C1C(O)C(O)C(O)C(CO)N1C(=O)CCc1ccccc1.
What is the InChIKey of N-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-1-(3-phenylpropanoyl)piperidine-2-carboxamide?
The InChIKey is YQAGXRGOSGZNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6/c1-2-19-18(26)14-16(24)17(25)15(23)12(10-21)20(14)13(22)9-8-11-6-4-3-5-7-11/h3-7,12,14-17,21,23-25H,2,8-10H2,1H3,(H,19,26).
What are the key properties of N-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-1-(3-phenylpropanoyl)piperidine-2-carboxamide?
N-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-1-(3-phenylpropanoyl)piperidine-2-carboxamide has a molecular weight of 366.41 g/mol, XLogP of -1.59, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-1-(3-phenylpropanoyl)piperidine-2-carboxamide is sourced from PubChem (CID 123825620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).