N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid

C21H32N2O5 — CID 23724284

IUPACN-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid
SMILESCCC(C)NC(=O)C1CCN(CCCc2ccccc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C19H30N2O.C2H2O4/c1-3-16(2)20-19(22)18-11-14-21(15-12-18)13-7-10-17-8-5-4-6-9-17;3-1(4)2(5)6/h4-6,8-9,16,18H,3,7,10-15H2,1-2H3,(H,20,22);(H,3,4)(H,5,6)
InChIKeyFRMZGXODYRKAIP-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.40
Rot. Bonds7

About N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid

N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid (PubChem CID 23724284) has the molecular formula C21H32N2O5 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid.

Molecular Properties

Compound NameN-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid
PubChem CID23724284
Molecular FormulaC21H32N2O5
Molecular Weight392.50 g/mol
Exact Mass392.23
IUPAC NameN-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid
SMILESCCC(C)NC(=O)C1CCN(CCCc2ccccc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C19H30N2O.C2H2O4/c1-3-16(2)20-19(22)18-11-14-21(15-12-18)13-7-10-17-8-5-4-6-9-17;3-1(4)2(5)6/h4-6,8-9,16,18H,3,7,10-15H2,1-2H3,(H,20,22);(H,3,4)(H,5,6)
InChIKeyFRMZGXODYRKAIP-UHFFFAOYSA-N
XLogP2.40
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.40
H-Bond Donors ≤ 53
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-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid?
The IUPAC name of N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid (CID 23724284) is N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid.
What is the SMILES notation for N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid?
The canonical SMILES for N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid is CCC(C)NC(=O)C1CCN(CCCc2ccccc2)CC1.O=C(O)C(=O)O.
What is the InChIKey of N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid?
The InChIKey is FRMZGXODYRKAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O.C2H2O4/c1-3-16(2)20-19(22)18-11-14-21(15-12-18)13-7-10-17-8-5-4-6-9-17;3-1(4)2(5)6/h4-6,8-9,16,18H,3,7,10-15H2,1-2H3,(H,20,22);(H,3,4)(H,5,6).
What are the key properties of N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid?
N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid has a molecular weight of 392.50 g/mol, XLogP of 2.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid is sourced from PubChem (CID 23724284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).