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

C26H34N2O6 — CID 656305

IUPACN,N-diethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
SMILESCCN(CC)C(=O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C24H32N2O2.C2H2O4/c1-3-26(4-2)24(27)22-13-15-25(16-14-22)18-21-11-8-12-23(17-21)28-19-20-9-6-5-7-10-20;3-1(4)2(5)6/h5-12,17,22H,3-4,13-16,18-19H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyNABYVJMBLXSUHF-UHFFFAOYSA-N
MW470.57 g/mol
LogP3.50
Rot. Bonds8

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

N,N-diethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid (PubChem CID 656305) has the molecular formula C26H34N2O6 and a molecular weight of 470.57 g/mol. Its IUPAC name is N,N-diethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid.

Molecular Properties

Compound NameN,N-diethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
PubChem CID656305
Molecular FormulaC26H34N2O6
Molecular Weight470.57 g/mol
Exact Mass470.24
IUPAC NameN,N-diethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
SMILESCCN(CC)C(=O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C24H32N2O2.C2H2O4/c1-3-26(4-2)24(27)22-13-15-25(16-14-22)18-21-11-8-12-23(17-21)28-19-20-9-6-5-7-10-20;3-1(4)2(5)6/h5-12,17,22H,3-4,13-16,18-19H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyNABYVJMBLXSUHF-UHFFFAOYSA-N
XLogP3.50
TPSA107.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.50
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,N-diethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid?
The IUPAC name of N,N-diethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid (CID 656305) is N,N-diethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid.
What is the SMILES notation for N,N-diethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid?
The canonical SMILES for N,N-diethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid is CCN(CC)C(=O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1.O=C(O)C(=O)O.
What is the InChIKey of N,N-diethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid?
The InChIKey is NABYVJMBLXSUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2.C2H2O4/c1-3-26(4-2)24(27)22-13-15-25(16-14-22)18-21-11-8-12-23(17-21)28-19-20-9-6-5-7-10-20;3-1(4)2(5)6/h5-12,17,22H,3-4,13-16,18-19H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N,N-diethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid?
N,N-diethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid has a molecular weight of 470.57 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid is sourced from PubChem (CID 656305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).