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

C16H24N4O — CID 110194773

IUPACcyclopentyl-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCCCC1c1nc(C2CC2)n[nH]1
InChIInChI=1S/C16H24N4O/c21-16(12-5-1-2-6-12)20-10-4-3-7-13(20)15-17-14(18-19-15)11-8-9-11/h11-13H,1-10H2,(H,17,18,19)
InChIKeyFPRXRVXFMZDJOK-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.93
Rot. Bonds3

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

cyclopentyl-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (PubChem CID 110194773) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is cyclopentyl-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
PubChem CID110194773
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Namecyclopentyl-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCCCC1c1nc(C2CC2)n[nH]1
InChIInChI=1S/C16H24N4O/c21-16(12-5-1-2-6-12)20-10-4-3-7-13(20)15-17-14(18-19-15)11-8-9-11/h11-13H,1-10H2,(H,17,18,19)
InChIKeyFPRXRVXFMZDJOK-UHFFFAOYSA-N
XLogP2.93
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (CID 110194773) is cyclopentyl-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is O=C(C1CCCC1)N1CCCCC1c1nc(C2CC2)n[nH]1.
What is the InChIKey of cyclopentyl-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is FPRXRVXFMZDJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c21-16(12-5-1-2-6-12)20-10-4-3-7-13(20)15-17-14(18-19-15)11-8-9-11/h11-13H,1-10H2,(H,17,18,19).
What are the key properties of cyclopentyl-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
cyclopentyl-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 288.39 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110194773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).