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

C22H26N2O6 — CID 23724163

IUPACoxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C20H24N2O2.C2H2O4/c21-20(23)18-9-11-22(12-10-18)14-17-7-4-8-19(13-17)24-15-16-5-2-1-3-6-16;3-1(4)2(5)6/h1-8,13,18H,9-12,14-15H2,(H2,21,23);(H,3,4)(H,5,6)
InChIKeyLUZCXDCNZWGPBY-UHFFFAOYSA-N
MW414.46 g/mol
LogP2.12
Rot. Bonds6

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

oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 23724163) has the molecular formula C22H26N2O6 and a molecular weight of 414.46 g/mol. Its IUPAC name is oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Nameoxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID23724163
Molecular FormulaC22H26N2O6
Molecular Weight414.46 g/mol
Exact Mass414.18
IUPAC Nameoxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C20H24N2O2.C2H2O4/c21-20(23)18-9-11-22(12-10-18)14-17-7-4-8-19(13-17)24-15-16-5-2-1-3-6-16;3-1(4)2(5)6/h1-8,13,18H,9-12,14-15H2,(H2,21,23);(H,3,4)(H,5,6)
InChIKeyLUZCXDCNZWGPBY-UHFFFAOYSA-N
XLogP2.12
TPSA130.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.12
H-Bond Donors ≤ 53
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 oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide (CID 23724163) is oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide is NC(=O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is LUZCXDCNZWGPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.C2H2O4/c21-20(23)18-9-11-22(12-10-18)14-17-7-4-8-19(13-17)24-15-16-5-2-1-3-6-16;3-1(4)2(5)6/h1-8,13,18H,9-12,14-15H2,(H2,21,23);(H,3,4)(H,5,6).
What are the key properties of oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide?
oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 23724163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).