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

C15H24N4O — CID 128991556

IUPAC(2,2,3,3-tetramethylcyclopropyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESCC1(C)C(C(=O)N2CCCCC2c2ncn[nH]2)C1(C)C
InChIInChI=1S/C15H24N4O/c1-14(2)11(15(14,3)4)13(20)19-8-6-5-7-10(19)12-16-9-17-18-12/h9-11H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyYNHBSAQOJIRMRK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.54
Rot. Bonds2

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

(2,2,3,3-tetramethylcyclopropyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (PubChem CID 128991556) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (2,2,3,3-tetramethylcyclopropyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,2,3,3-tetramethylcyclopropyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
PubChem CID128991556
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(2,2,3,3-tetramethylcyclopropyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESCC1(C)C(C(=O)N2CCCCC2c2ncn[nH]2)C1(C)C
InChIInChI=1S/C15H24N4O/c1-14(2)11(15(14,3)4)13(20)19-8-6-5-7-10(19)12-16-9-17-18-12/h9-11H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyYNHBSAQOJIRMRK-UHFFFAOYSA-N
XLogP2.54
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2,3,3-tetramethylcyclopropyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,2,3,3-tetramethylcyclopropyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (CID 128991556) is (2,2,3,3-tetramethylcyclopropyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,2,3,3-tetramethylcyclopropyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,2,3,3-tetramethylcyclopropyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is CC1(C)C(C(=O)N2CCCCC2c2ncn[nH]2)C1(C)C.
What is the InChIKey of (2,2,3,3-tetramethylcyclopropyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is YNHBSAQOJIRMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-14(2)11(15(14,3)4)13(20)19-8-6-5-7-10(19)12-16-9-17-18-12/h9-11H,5-8H2,1-4H3,(H,16,17,18).
What are the key properties of (2,2,3,3-tetramethylcyclopropyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
(2,2,3,3-tetramethylcyclopropyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 276.38 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,3,3-tetramethylcyclopropyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 128991556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).