N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid

C25H32N2O7 — CID 163328607

IUPACN-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid
SMILESCOc1ccc(CN2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1OC.O=C(O)C(=O)O
InChIInChI=1S/C23H30N2O3.C2H2O4/c1-24(16-18-7-5-4-6-8-18)23(26)20-11-13-25(14-12-20)17-19-9-10-21(27-2)22(15-19)28-3;3-1(4)2(5)6/h4-10,15,20H,11-14,16-17H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyUNOHOIQRPUUBPS-UHFFFAOYSA-N
MW472.54 g/mol
LogP2.73
Rot. Bonds7

About N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid

N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid (PubChem CID 163328607) has the molecular formula C25H32N2O7 and a molecular weight of 472.54 g/mol. Its IUPAC name is N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid.

Molecular Properties

Compound NameN-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid
PubChem CID163328607
Molecular FormulaC25H32N2O7
Molecular Weight472.54 g/mol
Exact Mass472.22
IUPAC NameN-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid
SMILESCOc1ccc(CN2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1OC.O=C(O)C(=O)O
InChIInChI=1S/C23H30N2O3.C2H2O4/c1-24(16-18-7-5-4-6-8-18)23(26)20-11-13-25(14-12-20)17-19-9-10-21(27-2)22(15-19)28-3;3-1(4)2(5)6/h4-10,15,20H,11-14,16-17H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyUNOHOIQRPUUBPS-UHFFFAOYSA-N
XLogP2.73
TPSA116.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid
CID 126467965
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 3607741
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 23724334
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 1076471
1-(benzenesulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26594400
N-benzyl-N-methyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1076502
N-benzyl-N-(2-hydroxyethyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 2903593
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid
CID 163328069
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide
CID 28633693
1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 2900377
1-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]azepane;oxalic acid
CID 2913614
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylcyclopentanecarboxamide
CID 9118265

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid?
The IUPAC name of N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid (CID 163328607) is N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid.
What is the SMILES notation for N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid?
The canonical SMILES for N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid is COc1ccc(CN2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1OC.O=C(O)C(=O)O.
What is the InChIKey of N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid?
The InChIKey is UNOHOIQRPUUBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3.C2H2O4/c1-24(16-18-7-5-4-6-8-18)23(26)20-11-13-25(14-12-20)17-19-9-10-21(27-2)22(15-19)28-3;3-1(4)2(5)6/h4-10,15,20H,11-14,16-17H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid?
N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid has a molecular weight of 472.54 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid is sourced from PubChem (CID 163328607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).