N-butyl-N-methyl-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid

C22H34N2O5 — CID 655473

IUPACN-butyl-N-methyl-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid
SMILESCCCCN(C)C(=O)C1CCN(CCCc2ccccc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C20H32N2O.C2H2O4/c1-3-4-14-21(2)20(23)19-12-16-22(17-13-19)15-8-11-18-9-6-5-7-10-18;3-1(4)2(5)6/h5-7,9-10,19H,3-4,8,11-17H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyDJAADJYLYNTVBC-UHFFFAOYSA-N
MW406.52 g/mol
LogP2.75
Rot. Bonds8

About N-butyl-N-methyl-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid

N-butyl-N-methyl-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid (PubChem CID 655473) has the molecular formula C22H34N2O5 and a molecular weight of 406.52 g/mol. Its IUPAC name is N-butyl-N-methyl-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid.

Molecular Properties

Compound NameN-butyl-N-methyl-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid
PubChem CID655473
Molecular FormulaC22H34N2O5
Molecular Weight406.52 g/mol
Exact Mass406.25
IUPAC NameN-butyl-N-methyl-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid
SMILESCCCCN(C)C(=O)C1CCN(CCCc2ccccc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C20H32N2O.C2H2O4/c1-3-4-14-21(2)20(23)19-12-16-22(17-13-19)15-8-11-18-9-6-5-7-10-18;3-1(4)2(5)6/h5-7,9-10,19H,3-4,8,11-17H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyDJAADJYLYNTVBC-UHFFFAOYSA-N
XLogP2.75
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 52.75
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-butyl-N-methyl-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid?
The IUPAC name of N-butyl-N-methyl-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid (CID 655473) is N-butyl-N-methyl-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid.
What is the SMILES notation for N-butyl-N-methyl-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid?
The canonical SMILES for N-butyl-N-methyl-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid is CCCCN(C)C(=O)C1CCN(CCCc2ccccc2)CC1.O=C(O)C(=O)O.
What is the InChIKey of N-butyl-N-methyl-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid?
The InChIKey is DJAADJYLYNTVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O.C2H2O4/c1-3-4-14-21(2)20(23)19-12-16-22(17-13-19)15-8-11-18-9-6-5-7-10-18;3-1(4)2(5)6/h5-7,9-10,19H,3-4,8,11-17H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N-butyl-N-methyl-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid?
N-butyl-N-methyl-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid has a molecular weight of 406.52 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid is sourced from PubChem (CID 655473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).