3-[(4-cyclopentyltriazol-1-yl)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine

C18H28N6 — CID 45222767

IUPAC3-[(4-cyclopentyltriazol-1-yl)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine
SMILESCn1ccnc1CN1CCCC(Cn2cc(C3CCCC3)nn2)C1
InChIInChI=1S/C18H28N6/c1-22-10-8-19-18(22)14-23-9-4-5-15(11-23)12-24-13-17(20-21-24)16-6-2-3-7-16/h8,10,13,15-16H,2-7,9,11-12,14H2,1H3
InChIKeyUUWKMXYFRHENBJ-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.58
Rot. Bonds5

About 3-[(4-cyclopentyltriazol-1-yl)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine

3-[(4-cyclopentyltriazol-1-yl)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine (PubChem CID 45222767) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-[(4-cyclopentyltriazol-1-yl)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(4-cyclopentyltriazol-1-yl)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine
PubChem CID45222767
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC Name3-[(4-cyclopentyltriazol-1-yl)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine
SMILESCn1ccnc1CN1CCCC(Cn2cc(C3CCCC3)nn2)C1
InChIInChI=1S/C18H28N6/c1-22-10-8-19-18(22)14-23-9-4-5-15(11-23)12-24-13-17(20-21-24)16-6-2-3-7-16/h8,10,13,15-16H,2-7,9,11-12,14H2,1H3
InChIKeyUUWKMXYFRHENBJ-UHFFFAOYSA-N
XLogP2.58
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclopentyltriazol-1-yl)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine?
The IUPAC name of 3-[(4-cyclopentyltriazol-1-yl)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine (CID 45222767) is 3-[(4-cyclopentyltriazol-1-yl)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine.
What is the SMILES notation for 3-[(4-cyclopentyltriazol-1-yl)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine?
The canonical SMILES for 3-[(4-cyclopentyltriazol-1-yl)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine is Cn1ccnc1CN1CCCC(Cn2cc(C3CCCC3)nn2)C1.
What is the InChIKey of 3-[(4-cyclopentyltriazol-1-yl)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine?
The InChIKey is UUWKMXYFRHENBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6/c1-22-10-8-19-18(22)14-23-9-4-5-15(11-23)12-24-13-17(20-21-24)16-6-2-3-7-16/h8,10,13,15-16H,2-7,9,11-12,14H2,1H3.
What are the key properties of 3-[(4-cyclopentyltriazol-1-yl)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine?
3-[(4-cyclopentyltriazol-1-yl)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine has a molecular weight of 328.46 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclopentyltriazol-1-yl)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine is sourced from PubChem (CID 45222767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).