1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid

C23H28N2O7 — CID 23724334

IUPAC1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
SMILESCOc1cc(CN2CCC(C(N)=O)CC2)ccc1OCc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C21H26N2O3.C2H2O4/c1-25-20-13-17(14-23-11-9-18(10-12-23)21(22)24)7-8-19(20)26-15-16-5-3-2-4-6-16;3-1(4)2(5)6/h2-8,13,18H,9-12,14-15H2,1H3,(H2,22,24);(H,3,4)(H,5,6)
InChIKeyQSZXBLARPSNFPT-UHFFFAOYSA-N
MW444.48 g/mol
LogP2.13
Rot. Bonds7

About 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid

1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid (PubChem CID 23724334) has the molecular formula C23H28N2O7 and a molecular weight of 444.48 g/mol. Its IUPAC name is 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid.

Molecular Properties

Compound Name1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
PubChem CID23724334
Molecular FormulaC23H28N2O7
Molecular Weight444.48 g/mol
Exact Mass444.19
IUPAC Name1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
SMILESCOc1cc(CN2CCC(C(N)=O)CC2)ccc1OCc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C21H26N2O3.C2H2O4/c1-25-20-13-17(14-23-11-9-18(10-12-23)21(22)24)7-8-19(20)26-15-16-5-3-2-4-6-16;3-1(4)2(5)6/h2-8,13,18H,9-12,14-15H2,1H3,(H2,22,24);(H,3,4)(H,5,6)
InChIKeyQSZXBLARPSNFPT-UHFFFAOYSA-N
XLogP2.13
TPSA139.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 52.13
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-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 2900377
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine;oxalic acid
CID 23724207
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carbohydrazide
CID 54848264
oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 23724163
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine;oxalic acid
CID 2902948
1-[(4-fluorophenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 90483788
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 3914392
azepan-1-yl-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-3-yl]methanone;oxalic acid
CID 2933537
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 122040812
N-benzyl-N-(2-hydroxyethyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 2903593
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidin-1-ylpiperidine
CID 1375678
N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid
CID 163328607

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid?
The IUPAC name of 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid (CID 23724334) is 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid.
What is the SMILES notation for 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid?
The canonical SMILES for 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid is COc1cc(CN2CCC(C(N)=O)CC2)ccc1OCc1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid?
The InChIKey is QSZXBLARPSNFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3.C2H2O4/c1-25-20-13-17(14-23-11-9-18(10-12-23)21(22)24)7-8-19(20)26-15-16-5-3-2-4-6-16;3-1(4)2(5)6/h2-8,13,18H,9-12,14-15H2,1H3,(H2,22,24);(H,3,4)(H,5,6).
What are the key properties of 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid?
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid has a molecular weight of 444.48 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid is sourced from PubChem (CID 23724334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).