(2R)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one

C17H23N5O2 — CID 95212754

IUPAC(2R)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESCc1ccc(C2(O)CCN(C(=O)[C@H](C)Cn3cncn3)CC2)nc1
InChIInChI=1S/C17H23N5O2/c1-13-3-4-15(19-9-13)17(24)5-7-21(8-6-17)16(23)14(2)10-22-12-18-11-20-22/h3-4,9,11-12,14,24H,5-8,10H2,1-2H3/t14-/m1/s1
InChIKeyZYNDLECTNTUSKT-CQSZACIVSA-N
MW329.40 g/mol
LogP1.13
Rot. Bonds4

About (2R)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one

(2R)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 95212754) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2R)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID95212754
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(2R)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESCc1ccc(C2(O)CCN(C(=O)[C@H](C)Cn3cncn3)CC2)nc1
InChIInChI=1S/C17H23N5O2/c1-13-3-4-15(19-9-13)17(24)5-7-21(8-6-17)16(23)14(2)10-22-12-18-11-20-22/h3-4,9,11-12,14,24H,5-8,10H2,1-2H3/t14-/m1/s1
InChIKeyZYNDLECTNTUSKT-CQSZACIVSA-N
XLogP1.13
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of (2R)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one (CID 95212754) is (2R)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for (2R)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for (2R)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one is Cc1ccc(C2(O)CCN(C(=O)[C@H](C)Cn3cncn3)CC2)nc1.
What is the InChIKey of (2R)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is ZYNDLECTNTUSKT-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-13-3-4-15(19-9-13)17(24)5-7-21(8-6-17)16(23)14(2)10-22-12-18-11-20-22/h3-4,9,11-12,14,24H,5-8,10H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one?
(2R)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 329.40 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 95212754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).