1-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone

C18H26N6O — CID 30881387

IUPAC1-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
SMILESCc1nccn1CC(=O)N1CCC(n2cc(C3CCCC3)nn2)CC1
InChIInChI=1S/C18H26N6O/c1-14-19-8-11-23(14)13-18(25)22-9-6-16(7-10-22)24-12-17(20-21-24)15-4-2-3-5-15/h8,11-12,15-16H,2-7,9-10,13H2,1H3
InChIKeyFNBWENPQZSCUDC-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.30
Rot. Bonds4

About 1-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone

1-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone (PubChem CID 30881387) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
PubChem CID30881387
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name1-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
SMILESCc1nccn1CC(=O)N1CCC(n2cc(C3CCCC3)nn2)CC1
InChIInChI=1S/C18H26N6O/c1-14-19-8-11-23(14)13-18(25)22-9-6-16(7-10-22)24-12-17(20-21-24)15-4-2-3-5-15/h8,11-12,15-16H,2-7,9-10,13H2,1H3
InChIKeyFNBWENPQZSCUDC-UHFFFAOYSA-N
XLogP2.30
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone?
The IUPAC name of 1-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone (CID 30881387) is 1-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone is Cc1nccn1CC(=O)N1CCC(n2cc(C3CCCC3)nn2)CC1.
What is the InChIKey of 1-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone?
The InChIKey is FNBWENPQZSCUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-14-19-8-11-23(14)13-18(25)22-9-6-16(7-10-22)24-12-17(20-21-24)15-4-2-3-5-15/h8,11-12,15-16H,2-7,9-10,13H2,1H3.
What are the key properties of 1-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone?
1-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone has a molecular weight of 342.45 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone is sourced from PubChem (CID 30881387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).