N-(3-methylbutyl)-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide;oxalic acid

C19H30N2O6 — CID 650546

IUPACN-(3-methylbutyl)-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide;oxalic acid
SMILESCc1ccc(CN2CCC(C(=O)NCCC(C)C)CC2)o1.O=C(O)C(=O)O
InChIInChI=1S/C17H28N2O2.C2H2O4/c1-13(2)6-9-18-17(20)15-7-10-19(11-8-15)12-16-5-4-14(3)21-16;3-1(4)2(5)6/h4-5,13,15H,6-12H2,1-3H3,(H,18,20);(H,3,4)(H,5,6)
InChIKeyDOKFYLFDPPDFGM-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.12
Rot. Bonds6

About N-(3-methylbutyl)-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide;oxalic acid

N-(3-methylbutyl)-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide;oxalic acid (PubChem CID 650546) has the molecular formula C19H30N2O6 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide;oxalic acid.

Molecular Properties

Compound NameN-(3-methylbutyl)-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide;oxalic acid
PubChem CID650546
Molecular FormulaC19H30N2O6
Molecular Weight382.46 g/mol
Exact Mass382.21
IUPAC NameN-(3-methylbutyl)-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide;oxalic acid
SMILESCc1ccc(CN2CCC(C(=O)NCCC(C)C)CC2)o1.O=C(O)C(=O)O
InChIInChI=1S/C17H28N2O2.C2H2O4/c1-13(2)6-9-18-17(20)15-7-10-19(11-8-15)12-16-5-4-14(3)21-16;3-1(4)2(5)6/h4-5,13,15H,6-12H2,1-3H3,(H,18,20);(H,3,4)(H,5,6)
InChIKeyDOKFYLFDPPDFGM-UHFFFAOYSA-N
XLogP2.12
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(3-methylbutyl)-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide;oxalic acid?
The IUPAC name of N-(3-methylbutyl)-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide;oxalic acid (CID 650546) is N-(3-methylbutyl)-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide;oxalic acid.
What is the SMILES notation for N-(3-methylbutyl)-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide;oxalic acid?
The canonical SMILES for N-(3-methylbutyl)-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide;oxalic acid is Cc1ccc(CN2CCC(C(=O)NCCC(C)C)CC2)o1.O=C(O)C(=O)O.
What is the InChIKey of N-(3-methylbutyl)-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide;oxalic acid?
The InChIKey is DOKFYLFDPPDFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.C2H2O4/c1-13(2)6-9-18-17(20)15-7-10-19(11-8-15)12-16-5-4-14(3)21-16;3-1(4)2(5)6/h4-5,13,15H,6-12H2,1-3H3,(H,18,20);(H,3,4)(H,5,6).
What are the key properties of N-(3-methylbutyl)-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide;oxalic acid?
N-(3-methylbutyl)-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide;oxalic acid has a molecular weight of 382.46 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 N-(3-methylbutyl)-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide;oxalic acid is sourced from PubChem (CID 650546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).