[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone

C17H23N5O3 — CID 129483484

IUPAC[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CCC[C@](O)(c2cn(C(C)C)nn2)C1
InChIInChI=1S/C17H23N5O3/c1-12(2)22-10-14(19-20-22)17(24)7-5-9-21(11-17)16(23)13-6-4-8-18-15(13)25-3/h4,6,8,10,12,24H,5,7,9,11H2,1-3H3/t17-/m1/s1
InChIKeyOBHKVQPRZYPXGG-QGZVFWFLSA-N
MW345.40 g/mol
LogP1.39
Rot. Bonds4

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

[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone (PubChem CID 129483484) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
PubChem CID129483484
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CCC[C@](O)(c2cn(C(C)C)nn2)C1
InChIInChI=1S/C17H23N5O3/c1-12(2)22-10-14(19-20-22)17(24)7-5-9-21(11-17)16(23)13-6-4-8-18-15(13)25-3/h4,6,8,10,12,24H,5,7,9,11H2,1-3H3/t17-/m1/s1
InChIKeyOBHKVQPRZYPXGG-QGZVFWFLSA-N
XLogP1.39
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The IUPAC name of [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone (CID 129483484) is [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone is COc1ncccc1C(=O)N1CCC[C@](O)(c2cn(C(C)C)nn2)C1.
What is the InChIKey of [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The InChIKey is OBHKVQPRZYPXGG-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-12(2)22-10-14(19-20-22)17(24)7-5-9-21(11-17)16(23)13-6-4-8-18-15(13)25-3/h4,6,8,10,12,24H,5,7,9,11H2,1-3H3/t17-/m1/s1.
What are the key properties of [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone has a molecular weight of 345.40 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 129483484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).