[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone

C17H21N5O2 — CID 53192439

IUPAC[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(c3nc(C4CC4)n[nH]3)CC2)cn1
InChIInChI=1S/C17H21N5O2/c1-24-14-5-4-13(10-18-14)17(23)22-8-6-12(7-9-22)16-19-15(20-21-16)11-2-3-11/h4-5,10-12H,2-3,6-9H2,1H3,(H,19,20,21)
InChIKeyBDGYUWWUZXAAEE-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.11
Rot. Bonds4

About [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone

[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone (PubChem CID 53192439) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
PubChem CID53192439
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(c3nc(C4CC4)n[nH]3)CC2)cn1
InChIInChI=1S/C17H21N5O2/c1-24-14-5-4-13(10-18-14)17(23)22-8-6-12(7-9-22)16-19-15(20-21-16)11-2-3-11/h4-5,10-12H,2-3,6-9H2,1H3,(H,19,20,21)
InChIKeyBDGYUWWUZXAAEE-UHFFFAOYSA-N
XLogP2.11
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The IUPAC name of [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone (CID 53192439) is [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone is COc1ccc(C(=O)N2CCC(c3nc(C4CC4)n[nH]3)CC2)cn1.
What is the InChIKey of [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The InChIKey is BDGYUWWUZXAAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-24-14-5-4-13(10-18-14)17(23)22-8-6-12(7-9-22)16-19-15(20-21-16)11-2-3-11/h4-5,10-12H,2-3,6-9H2,1H3,(H,19,20,21).
What are the key properties of [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone has a molecular weight of 327.39 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 53192439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).