N-butyl-N-methyl-1-(8-oxobicyclo[3.2.1]octane-3-carbonyl)piperidine-4-carboxamide

C20H32N2O3 — CID 102560286

IUPACN-butyl-N-methyl-1-(8-oxobicyclo[3.2.1]octane-3-carbonyl)piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)C2CC3CCC(C2)C3=O)CC1
InChIInChI=1S/C20H32N2O3/c1-3-4-9-21(2)19(24)14-7-10-22(11-8-14)20(25)17-12-15-5-6-16(13-17)18(15)23/h14-17H,3-13H2,1-2H3
InChIKeyALNXZZSTCUDFFR-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.49
Rot. Bonds5

About N-butyl-N-methyl-1-(8-oxobicyclo[3.2.1]octane-3-carbonyl)piperidine-4-carboxamide

N-butyl-N-methyl-1-(8-oxobicyclo[3.2.1]octane-3-carbonyl)piperidine-4-carboxamide (PubChem CID 102560286) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-butyl-N-methyl-1-(8-oxobicyclo[3.2.1]octane-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-1-(8-oxobicyclo[3.2.1]octane-3-carbonyl)piperidine-4-carboxamide
PubChem CID102560286
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC NameN-butyl-N-methyl-1-(8-oxobicyclo[3.2.1]octane-3-carbonyl)piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)C2CC3CCC(C2)C3=O)CC1
InChIInChI=1S/C20H32N2O3/c1-3-4-9-21(2)19(24)14-7-10-22(11-8-14)20(25)17-12-15-5-6-16(13-17)18(15)23/h14-17H,3-13H2,1-2H3
InChIKeyALNXZZSTCUDFFR-UHFFFAOYSA-N
XLogP2.49
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-butyl-N-methyl-1-(8-oxobicyclo[3.2.1]octane-3-carbonyl)piperidine-4-carboxamide 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-butyl-N-methyl-1-(8-oxobicyclo[3.2.1]octane-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-N-methyl-1-(8-oxobicyclo[3.2.1]octane-3-carbonyl)piperidine-4-carboxamide (CID 102560286) is N-butyl-N-methyl-1-(8-oxobicyclo[3.2.1]octane-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-1-(8-oxobicyclo[3.2.1]octane-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-N-methyl-1-(8-oxobicyclo[3.2.1]octane-3-carbonyl)piperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(C(=O)C2CC3CCC(C2)C3=O)CC1.
What is the InChIKey of N-butyl-N-methyl-1-(8-oxobicyclo[3.2.1]octane-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is ALNXZZSTCUDFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-3-4-9-21(2)19(24)14-7-10-22(11-8-14)20(25)17-12-15-5-6-16(13-17)18(15)23/h14-17H,3-13H2,1-2H3.
What are the key properties of N-butyl-N-methyl-1-(8-oxobicyclo[3.2.1]octane-3-carbonyl)piperidine-4-carboxamide?
N-butyl-N-methyl-1-(8-oxobicyclo[3.2.1]octane-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-1-(8-oxobicyclo[3.2.1]octane-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 102560286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).