N-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline

C18H24N4 — CID 146102925

IUPACN-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline
SMILESc1cc(NC2CC(c3ncc[nH]3)C2)cc(N2CCCCC2)c1
InChIInChI=1S/C18H24N4/c1-2-9-22(10-3-1)17-6-4-5-15(13-17)21-16-11-14(12-16)18-19-7-8-20-18/h4-8,13-14,16,21H,1-3,9-12H2,(H,19,20)
InChIKeyBZYZZYSAEOURMJ-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.76
Rot. Bonds4

About N-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline

N-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline (PubChem CID 146102925) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline.

Molecular Properties

Compound NameN-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline
PubChem CID146102925
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline
SMILESc1cc(NC2CC(c3ncc[nH]3)C2)cc(N2CCCCC2)c1
InChIInChI=1S/C18H24N4/c1-2-9-22(10-3-1)17-6-4-5-15(13-17)21-16-11-14(12-16)18-19-7-8-20-18/h4-8,13-14,16,21H,1-3,9-12H2,(H,19,20)
InChIKeyBZYZZYSAEOURMJ-UHFFFAOYSA-N
XLogP3.76
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline 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-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline?
The IUPAC name of N-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline (CID 146102925) is N-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline.
What is the SMILES notation for N-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline?
The canonical SMILES for N-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline is c1cc(NC2CC(c3ncc[nH]3)C2)cc(N2CCCCC2)c1.
What is the InChIKey of N-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline?
The InChIKey is BZYZZYSAEOURMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-2-9-22(10-3-1)17-6-4-5-15(13-17)21-16-11-14(12-16)18-19-7-8-20-18/h4-8,13-14,16,21H,1-3,9-12H2,(H,19,20).
What are the key properties of N-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline?
N-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline has a molecular weight of 296.42 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline is sourced from PubChem (CID 146102925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).