N-benzyl-N-(2-phenylethyl)-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid

C32H38N2O5 — CID 2903541

IUPACN-benzyl-N-(2-phenylethyl)-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid
SMILESO=C(C1CCN(CCCc2ccccc2)CC1)N(CCc1ccccc1)Cc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C30H36N2O.C2H2O4/c33-30(29-19-22-31(23-20-29)21-10-17-26-11-4-1-5-12-26)32(25-28-15-8-3-9-16-28)24-18-27-13-6-2-7-14-27;3-1(4)2(5)6/h1-9,11-16,29H,10,17-25H2;(H,3,4)(H,5,6)
InChIKeyKGCHUBLWRIHHNR-UHFFFAOYSA-N
MW530.67 g/mol
LogP4.76
Rot. Bonds10

About N-benzyl-N-(2-phenylethyl)-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid

N-benzyl-N-(2-phenylethyl)-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid (PubChem CID 2903541) has the molecular formula C32H38N2O5 and a molecular weight of 530.67 g/mol. Its IUPAC name is N-benzyl-N-(2-phenylethyl)-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid.

Molecular Properties

Compound NameN-benzyl-N-(2-phenylethyl)-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid
PubChem CID2903541
Molecular FormulaC32H38N2O5
Molecular Weight530.67 g/mol
Exact Mass530.28
IUPAC NameN-benzyl-N-(2-phenylethyl)-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid
SMILESO=C(C1CCN(CCCc2ccccc2)CC1)N(CCc1ccccc1)Cc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C30H36N2O.C2H2O4/c33-30(29-19-22-31(23-20-29)21-10-17-26-11-4-1-5-12-26)32(25-28-15-8-3-9-16-28)24-18-27-13-6-2-7-14-27;3-1(4)2(5)6/h1-9,11-16,29H,10,17-25H2;(H,3,4)(H,5,6)
InChIKeyKGCHUBLWRIHHNR-UHFFFAOYSA-N
XLogP4.76
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.67
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-benzyl-N-(2-phenylethyl)-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid?
The IUPAC name of N-benzyl-N-(2-phenylethyl)-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid (CID 2903541) is N-benzyl-N-(2-phenylethyl)-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid.
What is the SMILES notation for N-benzyl-N-(2-phenylethyl)-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid?
The canonical SMILES for N-benzyl-N-(2-phenylethyl)-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid is O=C(C1CCN(CCCc2ccccc2)CC1)N(CCc1ccccc1)Cc1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of N-benzyl-N-(2-phenylethyl)-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid?
The InChIKey is KGCHUBLWRIHHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O.C2H2O4/c33-30(29-19-22-31(23-20-29)21-10-17-26-11-4-1-5-12-26)32(25-28-15-8-3-9-16-28)24-18-27-13-6-2-7-14-27;3-1(4)2(5)6/h1-9,11-16,29H,10,17-25H2;(H,3,4)(H,5,6).
What are the key properties of N-benzyl-N-(2-phenylethyl)-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid?
N-benzyl-N-(2-phenylethyl)-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid has a molecular weight of 530.67 g/mol, XLogP of 4.76, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-phenylethyl)-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid is sourced from PubChem (CID 2903541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).