1-[(2,3-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid

C25H32N2O7 — CID 163328376

IUPAC1-[(2,3-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid
SMILESCOc1cccc(CN2CCC(C(=O)NCc3ccc(C)cc3)CC2)c1OC.O=C(O)C(=O)O
InChIInChI=1S/C23H30N2O3.C2H2O4/c1-17-7-9-18(10-8-17)15-24-23(26)19-11-13-25(14-12-19)16-20-5-4-6-21(27-2)22(20)28-3;3-1(4)2(5)6/h4-10,19H,11-16H2,1-3H3,(H,24,26);(H,3,4)(H,5,6)
InChIKeyMGKIDRUGIGGXDY-UHFFFAOYSA-N
MW472.54 g/mol
LogP2.70
Rot. Bonds7

About 1-[(2,3-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid

1-[(2,3-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid (PubChem CID 163328376) has the molecular formula C25H32N2O7 and a molecular weight of 472.54 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid.

Molecular Properties

Compound Name1-[(2,3-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid
PubChem CID163328376
Molecular FormulaC25H32N2O7
Molecular Weight472.54 g/mol
Exact Mass472.22
IUPAC Name1-[(2,3-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid
SMILESCOc1cccc(CN2CCC(C(=O)NCc3ccc(C)cc3)CC2)c1OC.O=C(O)C(=O)O
InChIInChI=1S/C23H30N2O3.C2H2O4/c1-17-7-9-18(10-8-17)15-24-23(26)19-11-13-25(14-12-19)16-20-5-4-6-21(27-2)22(20)28-3;3-1(4)2(5)6/h4-10,19H,11-16H2,1-3H3,(H,24,26);(H,3,4)(H,5,6)
InChIKeyMGKIDRUGIGGXDY-UHFFFAOYSA-N
XLogP2.70
TPSA125.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1096579
1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 163328645
1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1080800
1-[(4-methylphenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 46775352
N-benzyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 27107036
[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone;oxalic acid
CID 2903445
1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide;oxalic acid
CID 123132441
1-[(2-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 46775353
N-[(3-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284778
1-[(2-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 25246790
1-[(2,3-dimethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 17366969
1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine;oxalic acid
CID 17367093

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid?
The IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid (CID 163328376) is 1-[(2,3-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid.
What is the SMILES notation for 1-[(2,3-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid?
The canonical SMILES for 1-[(2,3-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid is COc1cccc(CN2CCC(C(=O)NCc3ccc(C)cc3)CC2)c1OC.O=C(O)C(=O)O.
What is the InChIKey of 1-[(2,3-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid?
The InChIKey is MGKIDRUGIGGXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3.C2H2O4/c1-17-7-9-18(10-8-17)15-24-23(26)19-11-13-25(14-12-19)16-20-5-4-6-21(27-2)22(20)28-3;3-1(4)2(5)6/h4-10,19H,11-16H2,1-3H3,(H,24,26);(H,3,4)(H,5,6).
What are the key properties of 1-[(2,3-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid?
1-[(2,3-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid has a molecular weight of 472.54 g/mol, XLogP of 2.70, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid is sourced from PubChem (CID 163328376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).