N-ethyl-N-(2-methylprop-2-enyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid

C24H36N2O8 — CID 2903568

IUPACN-ethyl-N-(2-methylprop-2-enyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
SMILESC=C(C)CN(CC)C(=O)C1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C22H34N2O4.C2H2O4/c1-7-24(14-16(2)3)22(25)18-8-10-23(11-9-18)15-17-12-19(26-4)21(28-6)20(13-17)27-5;3-1(4)2(5)6/h12-13,18H,2,7-11,14-15H2,1,3-6H3;(H,3,4)(H,5,6)
InChIKeyHKVUWLQEPREOBH-UHFFFAOYSA-N
MW480.56 g/mol
LogP2.50
Rot. Bonds9

About N-ethyl-N-(2-methylprop-2-enyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid

N-ethyl-N-(2-methylprop-2-enyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid (PubChem CID 2903568) has the molecular formula C24H36N2O8 and a molecular weight of 480.56 g/mol. Its IUPAC name is N-ethyl-N-(2-methylprop-2-enyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid.

Molecular Properties

Compound NameN-ethyl-N-(2-methylprop-2-enyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
PubChem CID2903568
Molecular FormulaC24H36N2O8
Molecular Weight480.56 g/mol
Exact Mass480.25
IUPAC NameN-ethyl-N-(2-methylprop-2-enyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
SMILESC=C(C)CN(CC)C(=O)C1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C22H34N2O4.C2H2O4/c1-7-24(14-16(2)3)22(25)18-8-10-23(11-9-18)15-17-12-19(26-4)21(28-6)20(13-17)27-5;3-1(4)2(5)6/h12-13,18H,2,7-11,14-15H2,1,3-6H3;(H,3,4)(H,5,6)
InChIKeyHKVUWLQEPREOBH-UHFFFAOYSA-N
XLogP2.50
TPSA125.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(2,5-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide;oxalic acid
CID 2903567
N-ethyl-N-(2-methylprop-2-enyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7312851
N-ethyl-N-(2-methylprop-2-enyl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide;oxalic acid
CID 44828326
1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
CID 3599917
oxalic acid;piperidin-1-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methanone
CID 2903448
oxalic acid;1-[(3,4,5-trimethoxyphenyl)methyl]azepane
CID 23724185
1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide;oxalic acid
CID 123132441
N-ethyl-1-[(2-hydroxyphenyl)methyl]-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
CID 762868
1-[(2-chlorophenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
CID 5024402
1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 1076473
N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 44828320
N-benzyl-N-ethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 649006

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid?
The IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid (CID 2903568) is N-ethyl-N-(2-methylprop-2-enyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid.
What is the SMILES notation for N-ethyl-N-(2-methylprop-2-enyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid?
The canonical SMILES for N-ethyl-N-(2-methylprop-2-enyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid is C=C(C)CN(CC)C(=O)C1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1.O=C(O)C(=O)O.
What is the InChIKey of N-ethyl-N-(2-methylprop-2-enyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid?
The InChIKey is HKVUWLQEPREOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4.C2H2O4/c1-7-24(14-16(2)3)22(25)18-8-10-23(11-9-18)15-17-12-19(26-4)21(28-6)20(13-17)27-5;3-1(4)2(5)6/h12-13,18H,2,7-11,14-15H2,1,3-6H3;(H,3,4)(H,5,6).
What are the key properties of N-ethyl-N-(2-methylprop-2-enyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid?
N-ethyl-N-(2-methylprop-2-enyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid has a molecular weight of 480.56 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylprop-2-enyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid is sourced from PubChem (CID 2903568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).