N-benzyl-1-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid

C24H30N2O6 — CID 3237703

IUPACN-benzyl-1-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid
SMILESCOc1ccccc1CN1CCCC(C(=O)N(C)Cc2ccccc2)C1.O=C(O)C(=O)O
InChIInChI=1S/C22H28N2O2.C2H2O4/c1-23(15-18-9-4-3-5-10-18)22(25)20-12-8-14-24(17-20)16-19-11-6-7-13-21(19)26-2;3-1(4)2(5)6/h3-7,9-11,13,20H,8,12,14-17H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyWCCFOIGWQNYEAN-UHFFFAOYSA-N
MW442.51 g/mol
LogP2.72
Rot. Bonds6

About N-benzyl-1-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid

N-benzyl-1-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid (PubChem CID 3237703) has the molecular formula C24H30N2O6 and a molecular weight of 442.51 g/mol. Its IUPAC name is N-benzyl-1-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid.

Molecular Properties

Compound NameN-benzyl-1-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid
PubChem CID3237703
Molecular FormulaC24H30N2O6
Molecular Weight442.51 g/mol
Exact Mass442.21
IUPAC NameN-benzyl-1-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid
SMILESCOc1ccccc1CN1CCCC(C(=O)N(C)Cc2ccccc2)C1.O=C(O)C(=O)O
InChIInChI=1S/C22H28N2O2.C2H2O4/c1-23(15-18-9-4-3-5-10-18)22(25)20-12-8-14-24(17-20)16-19-11-6-7-13-21(19)26-2;3-1(4)2(5)6/h3-7,9-11,13,20H,8,12,14-17H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyWCCFOIGWQNYEAN-UHFFFAOYSA-N
XLogP2.72
TPSA107.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid?
The IUPAC name of N-benzyl-1-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid (CID 3237703) is N-benzyl-1-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid.
What is the SMILES notation for N-benzyl-1-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid?
The canonical SMILES for N-benzyl-1-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid is COc1ccccc1CN1CCCC(C(=O)N(C)Cc2ccccc2)C1.O=C(O)C(=O)O.
What is the InChIKey of N-benzyl-1-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid?
The InChIKey is WCCFOIGWQNYEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2.C2H2O4/c1-23(15-18-9-4-3-5-10-18)22(25)20-12-8-14-24(17-20)16-19-11-6-7-13-21(19)26-2;3-1(4)2(5)6/h3-7,9-11,13,20H,8,12,14-17H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N-benzyl-1-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid?
N-benzyl-1-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid has a molecular weight of 442.51 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid is sourced from PubChem (CID 3237703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).