[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone

C17H26N6O2 — CID 128981852

IUPAC[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)N2CCCC(O)(c3cn(C(C)C)nn3)C2)cn1
InChIInChI=1S/C17H26N6O2/c1-4-7-22-10-14(9-18-22)16(24)21-8-5-6-17(25,12-21)15-11-23(13(2)3)20-19-15/h9-11,13,25H,4-8,12H2,1-3H3
InChIKeyKIQJEHZVXGEZFE-UHFFFAOYSA-N
MW346.44 g/mol
LogP1.59
Rot. Bonds5

About [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone

[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone (PubChem CID 128981852) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone
PubChem CID128981852
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)N2CCCC(O)(c3cn(C(C)C)nn3)C2)cn1
InChIInChI=1S/C17H26N6O2/c1-4-7-22-10-14(9-18-22)16(24)21-8-5-6-17(25,12-21)15-11-23(13(2)3)20-19-15/h9-11,13,25H,4-8,12H2,1-3H3
InChIKeyKIQJEHZVXGEZFE-UHFFFAOYSA-N
XLogP1.59
TPSA89.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone?
The IUPAC name of [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone (CID 128981852) is [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone?
The canonical SMILES for [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone is CCCn1cc(C(=O)N2CCCC(O)(c3cn(C(C)C)nn3)C2)cn1.
What is the InChIKey of [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone?
The InChIKey is KIQJEHZVXGEZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-4-7-22-10-14(9-18-22)16(24)21-8-5-6-17(25,12-21)15-11-23(13(2)3)20-19-15/h9-11,13,25H,4-8,12H2,1-3H3.
What are the key properties of [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone?
[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone has a molecular weight of 346.44 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 128981852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).