1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid

C25H32N2O6 — CID 163328645

IUPAC1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid
SMILESCCOc1ccccc1CN1CCC(C(=O)NCc2ccc(C)cc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C23H30N2O2.C2H2O4/c1-3-27-22-7-5-4-6-21(22)17-25-14-12-20(13-15-25)23(26)24-16-19-10-8-18(2)9-11-19;3-1(4)2(5)6/h4-11,20H,3,12-17H2,1-2H3,(H,24,26);(H,3,4)(H,5,6)
InChIKeyLGMXDLQUQDIRNI-UHFFFAOYSA-N
MW456.54 g/mol
LogP3.08
Rot. Bonds7

About 1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid

1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid (PubChem CID 163328645) has the molecular formula C25H32N2O6 and a molecular weight of 456.54 g/mol. Its IUPAC name is 1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid.

Molecular Properties

Compound Name1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid
PubChem CID163328645
Molecular FormulaC25H32N2O6
Molecular Weight456.54 g/mol
Exact Mass456.23
IUPAC Name1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid
SMILESCCOc1ccccc1CN1CCC(C(=O)NCc2ccc(C)cc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C23H30N2O2.C2H2O4/c1-3-27-22-7-5-4-6-21(22)17-25-14-12-20(13-15-25)23(26)24-16-19-10-8-18(2)9-11-19;3-1(4)2(5)6/h4-11,20H,3,12-17H2,1-2H3,(H,24,26);(H,3,4)(H,5,6)
InChIKeyLGMXDLQUQDIRNI-UHFFFAOYSA-N
XLogP3.08
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1080800
1-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1096579
N-[(2-ethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 46775726
1-[(2,3-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 163328376
1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 6964251
N-[(2-ethoxyphenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585915
N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 17388879
4-benzyl-1-[(2-ethoxyphenyl)methyl]piperidine;oxalic acid
CID 163328313
methyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate
CID 60670101
1-[(2-ethoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 7334962
N-[(2-ethoxyphenyl)methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115627
(3R)-1-[(2-chlorophenyl)methyl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 94023565

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid?
The IUPAC name of 1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid (CID 163328645) is 1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid.
What is the SMILES notation for 1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid?
The canonical SMILES for 1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid is CCOc1ccccc1CN1CCC(C(=O)NCc2ccc(C)cc2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid?
The InChIKey is LGMXDLQUQDIRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2.C2H2O4/c1-3-27-22-7-5-4-6-21(22)17-25-14-12-20(13-15-25)23(26)24-16-19-10-8-18(2)9-11-19;3-1(4)2(5)6/h4-11,20H,3,12-17H2,1-2H3,(H,24,26);(H,3,4)(H,5,6).
What are the key properties of 1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid?
1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid has a molecular weight of 456.54 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid is sourced from PubChem (CID 163328645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).