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

C15H19N5O2 — CID 128981867

IUPAC(3-ethyl-4-pyridinyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone
SMILESCCc1cnccc1C(=O)N1CCCC(O)(c2cn[nH]n2)C1
InChIInChI=1S/C15H19N5O2/c1-2-11-8-16-6-4-12(11)14(21)20-7-3-5-15(22,10-20)13-9-17-19-18-13/h4,6,8-9,22H,2-3,5,7,10H2,1H3,(H,17,18,19)
InChIKeyGYXBXCJCPPLLIR-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.89
Rot. Bonds3

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

(3-ethyl-4-pyridinyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone (PubChem CID 128981867) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is (3-ethyl-4-pyridinyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-4-pyridinyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone
PubChem CID128981867
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name(3-ethyl-4-pyridinyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone
SMILESCCc1cnccc1C(=O)N1CCCC(O)(c2cn[nH]n2)C1
InChIInChI=1S/C15H19N5O2/c1-2-11-8-16-6-4-12(11)14(21)20-7-3-5-15(22,10-20)13-9-17-19-18-13/h4,6,8-9,22H,2-3,5,7,10H2,1H3,(H,17,18,19)
InChIKeyGYXBXCJCPPLLIR-UHFFFAOYSA-N
XLogP0.89
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-[3-(trifluoromethyl)-4-pyridinyl]methanone
CID 128981886
2,7-diazaspiro[4.5]decan-7-yl-(3-ethyl-4-pyridinyl)methanone
CID 154762707
(4-bromo-1H-pyrrol-2-yl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone
CID 128980454
[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 128980534
(2,3-dimethyl-1H-indol-5-yl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone
CID 167775691
[4-(cyclopropylmethoxy)phenyl]-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone
CID 167902588
1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone
CID 167977497
1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 128981838
1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-2-(2-methylindol-1-yl)ethanone
CID 167904925
(5,6-dimethyl-1-benzofuran-3-yl)-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone
CID 167793651
(6-chloroquinolin-8-yl)-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone
CID 154756968
2-(cyclohexen-1-yl)-1-[(3S)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]ethanone
CID 129483951

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-pyridinyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-ethyl-4-pyridinyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone (CID 128981867) is (3-ethyl-4-pyridinyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-4-pyridinyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-4-pyridinyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone is CCc1cnccc1C(=O)N1CCCC(O)(c2cn[nH]n2)C1.
What is the InChIKey of (3-ethyl-4-pyridinyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is GYXBXCJCPPLLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-2-11-8-16-6-4-12(11)14(21)20-7-3-5-15(22,10-20)13-9-17-19-18-13/h4,6,8-9,22H,2-3,5,7,10H2,1H3,(H,17,18,19).
What are the key properties of (3-ethyl-4-pyridinyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone?
(3-ethyl-4-pyridinyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 301.35 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-pyridinyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 128981867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).