cyclopentyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone

C15H24N4O — CID 110196460

IUPACcyclopentyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
SMILESCc1nc(CC2CCN(C(=O)C3CCCC3)CC2)n[nH]1
InChIInChI=1S/C15H24N4O/c1-11-16-14(18-17-11)10-12-6-8-19(9-7-12)15(20)13-4-2-3-5-13/h12-13H,2-10H2,1H3,(H,16,17,18)
InChIKeyIYSGXPIISRAMRC-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.08
Rot. Bonds3

About cyclopentyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone

cyclopentyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone (PubChem CID 110196460) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is cyclopentyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
PubChem CID110196460
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Namecyclopentyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
SMILESCc1nc(CC2CCN(C(=O)C3CCCC3)CC2)n[nH]1
InChIInChI=1S/C15H24N4O/c1-11-16-14(18-17-11)10-12-6-8-19(9-7-12)15(20)13-4-2-3-5-13/h12-13H,2-10H2,1H3,(H,16,17,18)
InChIKeyIYSGXPIISRAMRC-UHFFFAOYSA-N
XLogP2.08
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone (CID 110196460) is cyclopentyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone is Cc1nc(CC2CCN(C(=O)C3CCCC3)CC2)n[nH]1.
What is the InChIKey of cyclopentyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is IYSGXPIISRAMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11-16-14(18-17-11)10-12-6-8-19(9-7-12)15(20)13-4-2-3-5-13/h12-13H,2-10H2,1H3,(H,16,17,18).
What are the key properties of cyclopentyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone?
cyclopentyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 276.38 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110196460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).