N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid

C25H32N2O6 — CID 44828320

IUPACN-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(Cc2cccc(OC)c2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C23H30N2O2.C2H2O4/c1-3-25(18-19-8-5-4-6-9-19)23(26)21-12-14-24(15-13-21)17-20-10-7-11-22(16-20)27-2;3-1(4)2(5)6/h4-11,16,21H,3,12-15,17-18H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyHSSGHBJYOGQQOS-UHFFFAOYSA-N
MW456.54 g/mol
LogP3.11
Rot. Bonds7

About N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid

N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid (PubChem CID 44828320) has the molecular formula C25H32N2O6 and a molecular weight of 456.54 g/mol. Its IUPAC name is N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid.

Molecular Properties

Compound NameN-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
PubChem CID44828320
Molecular FormulaC25H32N2O6
Molecular Weight456.54 g/mol
Exact Mass456.23
IUPAC NameN-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(Cc2cccc(OC)c2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C23H30N2O2.C2H2O4/c1-3-25(18-19-8-5-4-6-9-19)23(26)21-12-14-24(15-13-21)17-20-10-7-11-22(16-20)27-2;3-1(4)2(5)6/h4-11,16,21H,3,12-15,17-18H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyHSSGHBJYOGQQOS-UHFFFAOYSA-N
XLogP3.11
TPSA107.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1-[(4-chlorophenyl)methyl]-N-ethylpiperidine-4-carboxamide;oxalic acid
CID 2903464
N-benzyl-N-ethyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113004395
1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 43918618
N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7279394
N-benzyl-N-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 163328501
N-benzyl-N-ethyl-1-(3-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 71737574
N-benzyl-N-[2-(dimethylamino)ethyl]-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 3545948
N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-ethylpiperidine-4-carboxamide
CID 3589734
N-benzyl-N-ethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 649006
N-[2-(diethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3152666
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine;oxalic acid
CID 126477231
(4-ethylpiperazin-1-yl)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 795804

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid?
The IUPAC name of N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid (CID 44828320) is N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid.
What is the SMILES notation for N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid?
The canonical SMILES for N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid is CCN(Cc1ccccc1)C(=O)C1CCN(Cc2cccc(OC)c2)CC1.O=C(O)C(=O)O.
What is the InChIKey of N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid?
The InChIKey is HSSGHBJYOGQQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2.C2H2O4/c1-3-25(18-19-8-5-4-6-9-19)23(26)21-12-14-24(15-13-21)17-20-10-7-11-22(16-20)27-2;3-1(4)2(5)6/h4-11,16,21H,3,12-15,17-18H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid?
N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid has a molecular weight of 456.54 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid is sourced from PubChem (CID 44828320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).