(1-ethoxycyclopentyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone

C15H24N4O3 — CID 128981835

IUPAC(1-ethoxycyclopentyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone
SMILESCCOC1(C(=O)N2CCCC(O)(c3cn[nH]n3)C2)CCCC1
InChIInChI=1S/C15H24N4O3/c1-2-22-15(7-3-4-8-15)13(20)19-9-5-6-14(21,11-19)12-10-16-18-17-12/h10,21H,2-9,11H2,1H3,(H,16,17,18)
InChIKeyPNVSESLPDWXGHY-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.96
Rot. Bonds4

About (1-ethoxycyclopentyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone

(1-ethoxycyclopentyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone (PubChem CID 128981835) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (1-ethoxycyclopentyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethoxycyclopentyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone
PubChem CID128981835
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name(1-ethoxycyclopentyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone
SMILESCCOC1(C(=O)N2CCCC(O)(c3cn[nH]n3)C2)CCCC1
InChIInChI=1S/C15H24N4O3/c1-2-22-15(7-3-4-8-15)13(20)19-9-5-6-14(21,11-19)12-10-16-18-17-12/h10,21H,2-9,11H2,1H3,(H,16,17,18)
InChIKeyPNVSESLPDWXGHY-UHFFFAOYSA-N
XLogP0.96
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclopentyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-ethoxycyclopentyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone (CID 128981835) is (1-ethoxycyclopentyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethoxycyclopentyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-ethoxycyclopentyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone is CCOC1(C(=O)N2CCCC(O)(c3cn[nH]n3)C2)CCCC1.
What is the InChIKey of (1-ethoxycyclopentyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is PNVSESLPDWXGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-2-22-15(7-3-4-8-15)13(20)19-9-5-6-14(21,11-19)12-10-16-18-17-12/h10,21H,2-9,11H2,1H3,(H,16,17,18).
What are the key properties of (1-ethoxycyclopentyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone?
(1-ethoxycyclopentyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 308.38 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclopentyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 128981835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).