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

C23H34N2O7 — CID 2903567

IUPAC1-[(2,5-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide;oxalic acid
SMILESC=C(C)CN(CC)C(=O)C1CCN(Cc2cc(OC)ccc2OC)CC1.O=C(O)C(=O)O
InChIInChI=1S/C21H32N2O3.C2H2O4/c1-6-23(14-16(2)3)21(24)17-9-11-22(12-10-17)15-18-13-19(25-4)7-8-20(18)26-5;3-1(4)2(5)6/h7-8,13,17H,2,6,9-12,14-15H2,1,3-5H3;(H,3,4)(H,5,6)
InChIKeyABWDMHAXHRFDHE-UHFFFAOYSA-N
MW450.53 g/mol
LogP2.50
Rot. Bonds8

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

1-[(2,5-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide;oxalic acid (PubChem CID 2903567) has the molecular formula C23H34N2O7 and a molecular weight of 450.53 g/mol. Its IUPAC name is 1-[(2,5-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide;oxalic acid.

Molecular Properties

Compound Name1-[(2,5-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide;oxalic acid
PubChem CID2903567
Molecular FormulaC23H34N2O7
Molecular Weight450.53 g/mol
Exact Mass450.24
IUPAC Name1-[(2,5-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide;oxalic acid
SMILESC=C(C)CN(CC)C(=O)C1CCN(Cc2cc(OC)ccc2OC)CC1.O=C(O)C(=O)O
InChIInChI=1S/C21H32N2O3.C2H2O4/c1-6-23(14-16(2)3)21(24)17-9-11-22(12-10-17)15-18-13-19(25-4)7-8-20(18)26-5;3-1(4)2(5)6/h7-8,13,17H,2,6,9-12,14-15H2,1,3-5H3;(H,3,4)(H,5,6)
InChIKeyABWDMHAXHRFDHE-UHFFFAOYSA-N
XLogP2.50
TPSA116.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.53
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
CID 3599917
N-ethyl-N-(2-methylprop-2-enyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 2903568
N-ethyl-1-[(2-hydroxyphenyl)methyl]-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
CID 762868
1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide;oxalic acid
CID 123132441
N-ethyl-N-(2-methylprop-2-enyl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide;oxalic acid
CID 44828326
N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 44828320
[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 2187036
(3S)-1-[(5-bromo-2-methoxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 1067982
1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 1076473
N-benzyl-N-ethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 649006
1-[(2,5-dimethoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine;oxalic acid
CID 17385208
1-[[4-[(2,5-dimethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-N,N-diethylpiperidine-3-carboxamide
CID 45177213

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide;oxalic acid?
The IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide;oxalic acid (CID 2903567) is 1-[(2,5-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide;oxalic acid.
What is the SMILES notation for 1-[(2,5-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide;oxalic acid?
The canonical SMILES for 1-[(2,5-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide;oxalic acid is C=C(C)CN(CC)C(=O)C1CCN(Cc2cc(OC)ccc2OC)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-[(2,5-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide;oxalic acid?
The InChIKey is ABWDMHAXHRFDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3.C2H2O4/c1-6-23(14-16(2)3)21(24)17-9-11-22(12-10-17)15-18-13-19(25-4)7-8-20(18)26-5;3-1(4)2(5)6/h7-8,13,17H,2,6,9-12,14-15H2,1,3-5H3;(H,3,4)(H,5,6).
What are the key properties of 1-[(2,5-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide;oxalic acid?
1-[(2,5-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide;oxalic acid has a molecular weight of 450.53 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide;oxalic acid is sourced from PubChem (CID 2903567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).