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

C16H24N4O — CID 110196072

IUPACcyclopentyl-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCC(n2cnnc2C2CC2)CC1
InChIInChI=1S/C16H24N4O/c21-16(13-3-1-2-4-13)19-9-7-14(8-10-19)20-11-17-18-15(20)12-5-6-12/h11-14H,1-10H2
InChIKeyMVOSAUZJXUFICS-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.51
Rot. Bonds3

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

cyclopentyl-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone (PubChem CID 110196072) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is cyclopentyl-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone
PubChem CID110196072
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Namecyclopentyl-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCC(n2cnnc2C2CC2)CC1
InChIInChI=1S/C16H24N4O/c21-16(13-3-1-2-4-13)19-9-7-14(8-10-19)20-11-17-18-15(20)12-5-6-12/h11-14H,1-10H2
InChIKeyMVOSAUZJXUFICS-UHFFFAOYSA-N
XLogP2.51
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone (CID 110196072) is cyclopentyl-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone is O=C(C1CCCC1)N1CCC(n2cnnc2C2CC2)CC1.
What is the InChIKey of cyclopentyl-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is MVOSAUZJXUFICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c21-16(13-3-1-2-4-13)19-9-7-14(8-10-19)20-11-17-18-15(20)12-5-6-12/h11-14H,1-10H2.
What are the key properties of cyclopentyl-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
cyclopentyl-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 288.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110196072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).