N-ethyl-3,4,5-trihydroxy-6-methyl-1-(2-phenylethyl)piperidine-2-carboxamide

C17H26N2O4 — CID 123703055

IUPACN-ethyl-3,4,5-trihydroxy-6-methyl-1-(2-phenylethyl)piperidine-2-carboxamide
SMILESCCNC(=O)C1C(O)C(O)C(O)C(C)N1CCc1ccccc1
InChIInChI=1S/C17H26N2O4/c1-3-18-17(23)13-15(21)16(22)14(20)11(2)19(13)10-9-12-7-5-4-6-8-12/h4-8,11,13-16,20-22H,3,9-10H2,1-2H3,(H,18,23)
InChIKeyLSFUOCGELCYYAC-UHFFFAOYSA-N
MW322.41 g/mol
LogP-0.48
Rot. Bonds5

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

N-ethyl-3,4,5-trihydroxy-6-methyl-1-(2-phenylethyl)piperidine-2-carboxamide (PubChem CID 123703055) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-ethyl-3,4,5-trihydroxy-6-methyl-1-(2-phenylethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-3,4,5-trihydroxy-6-methyl-1-(2-phenylethyl)piperidine-2-carboxamide
PubChem CID123703055
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN-ethyl-3,4,5-trihydroxy-6-methyl-1-(2-phenylethyl)piperidine-2-carboxamide
SMILESCCNC(=O)C1C(O)C(O)C(O)C(C)N1CCc1ccccc1
InChIInChI=1S/C17H26N2O4/c1-3-18-17(23)13-15(21)16(22)14(20)11(2)19(13)10-9-12-7-5-4-6-8-12/h4-8,11,13-16,20-22H,3,9-10H2,1-2H3,(H,18,23)
InChIKeyLSFUOCGELCYYAC-UHFFFAOYSA-N
XLogP-0.48
TPSA93.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4,5-trihydroxy-6-methyl-1-(2-phenylethyl)piperidine-2-carboxamide?
The IUPAC name of N-ethyl-3,4,5-trihydroxy-6-methyl-1-(2-phenylethyl)piperidine-2-carboxamide (CID 123703055) is N-ethyl-3,4,5-trihydroxy-6-methyl-1-(2-phenylethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-ethyl-3,4,5-trihydroxy-6-methyl-1-(2-phenylethyl)piperidine-2-carboxamide?
The canonical SMILES for N-ethyl-3,4,5-trihydroxy-6-methyl-1-(2-phenylethyl)piperidine-2-carboxamide is CCNC(=O)C1C(O)C(O)C(O)C(C)N1CCc1ccccc1.
What is the InChIKey of N-ethyl-3,4,5-trihydroxy-6-methyl-1-(2-phenylethyl)piperidine-2-carboxamide?
The InChIKey is LSFUOCGELCYYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-3-18-17(23)13-15(21)16(22)14(20)11(2)19(13)10-9-12-7-5-4-6-8-12/h4-8,11,13-16,20-22H,3,9-10H2,1-2H3,(H,18,23).
What are the key properties of N-ethyl-3,4,5-trihydroxy-6-methyl-1-(2-phenylethyl)piperidine-2-carboxamide?
N-ethyl-3,4,5-trihydroxy-6-methyl-1-(2-phenylethyl)piperidine-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of -0.48, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4,5-trihydroxy-6-methyl-1-(2-phenylethyl)piperidine-2-carboxamide is sourced from PubChem (CID 123703055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).