1-(cyclobutanecarbonyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide

C18H28N4O2 — CID 72857947

IUPAC1-(cyclobutanecarbonyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide
SMILESCc1nccn1CCN(C)C(=O)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C18H28N4O2/c1-14-19-8-11-21(14)13-12-20(2)17(23)16-6-9-22(10-7-16)18(24)15-4-3-5-15/h8,11,15-16H,3-7,9-10,12-13H2,1-2H3
InChIKeyNBQUVOYFZDRTTK-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.69
Rot. Bonds5

About 1-(cyclobutanecarbonyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide

1-(cyclobutanecarbonyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide (PubChem CID 72857947) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide
PubChem CID72857947
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-(cyclobutanecarbonyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide
SMILESCc1nccn1CCN(C)C(=O)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C18H28N4O2/c1-14-19-8-11-21(14)13-12-20(2)17(23)16-6-9-22(10-7-16)18(24)15-4-3-5-15/h8,11,15-16H,3-7,9-10,12-13H2,1-2H3
InChIKeyNBQUVOYFZDRTTK-UHFFFAOYSA-N
XLogP1.69
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(cyclobutanecarbonyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]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 1-(cyclobutanecarbonyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide (CID 72857947) is 1-(cyclobutanecarbonyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide is Cc1nccn1CCN(C)C(=O)C1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of 1-(cyclobutanecarbonyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is NBQUVOYFZDRTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14-19-8-11-21(14)13-12-20(2)17(23)16-6-9-22(10-7-16)18(24)15-4-3-5-15/h8,11,15-16H,3-7,9-10,12-13H2,1-2H3.
What are the key properties of 1-(cyclobutanecarbonyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide?
1-(cyclobutanecarbonyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 72857947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).