4-[3-(1-adamantyl)imidazol-4-yl]piperidine

C18H27N3 — CID 114702688

IUPAC4-[3-(1-adamantyl)imidazol-4-yl]piperidine
SMILESc1ncn(C23CC4CC(CC(C4)C2)C3)c1C1CCNCC1
InChIInChI=1S/C18H27N3/c1-3-19-4-2-16(1)17-11-20-12-21(17)18-8-13-5-14(9-18)7-15(6-13)10-18/h11-16,19H,1-10H2
InChIKeyXBPCKTCVPHDLAW-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.28
Rot. Bonds2

About 4-[3-(1-adamantyl)imidazol-4-yl]piperidine

4-[3-(1-adamantyl)imidazol-4-yl]piperidine (PubChem CID 114702688) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 4-[3-(1-adamantyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name4-[3-(1-adamantyl)imidazol-4-yl]piperidine
PubChem CID114702688
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name4-[3-(1-adamantyl)imidazol-4-yl]piperidine
SMILESc1ncn(C23CC4CC(CC(C4)C2)C3)c1C1CCNCC1
InChIInChI=1S/C18H27N3/c1-3-19-4-2-16(1)17-11-20-12-21(17)18-8-13-5-14(9-18)7-15(6-13)10-18/h11-16,19H,1-10H2
InChIKeyXBPCKTCVPHDLAW-UHFFFAOYSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3-(1-adamantyl)imidazol-4-yl]piperidine 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 4-[3-(1-adamantyl)imidazol-4-yl]piperidine?
The IUPAC name of 4-[3-(1-adamantyl)imidazol-4-yl]piperidine (CID 114702688) is 4-[3-(1-adamantyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 4-[3-(1-adamantyl)imidazol-4-yl]piperidine?
The canonical SMILES for 4-[3-(1-adamantyl)imidazol-4-yl]piperidine is c1ncn(C23CC4CC(CC(C4)C2)C3)c1C1CCNCC1.
What is the InChIKey of 4-[3-(1-adamantyl)imidazol-4-yl]piperidine?
The InChIKey is XBPCKTCVPHDLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-3-19-4-2-16(1)17-11-20-12-21(17)18-8-13-5-14(9-18)7-15(6-13)10-18/h11-16,19H,1-10H2.
What are the key properties of 4-[3-(1-adamantyl)imidazol-4-yl]piperidine?
4-[3-(1-adamantyl)imidazol-4-yl]piperidine has a molecular weight of 285.44 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-adamantyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114702688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).