[4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone

C14H18N4O2 — CID 112531725

IUPAC[4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone
SMILESCc1nnc2cc(C(=O)N3CCC(CO)CC3)ccn12
InChIInChI=1S/C14H18N4O2/c1-10-15-16-13-8-12(4-7-18(10)13)14(20)17-5-2-11(9-19)3-6-17/h4,7-8,11,19H,2-3,5-6,9H2,1H3
InChIKeyDMGWGCZKASYJPY-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.88
Rot. Bonds2

About [4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone

[4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone (PubChem CID 112531725) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is [4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone
PubChem CID112531725
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name[4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone
SMILESCc1nnc2cc(C(=O)N3CCC(CO)CC3)ccn12
InChIInChI=1S/C14H18N4O2/c1-10-15-16-13-8-12(4-7-18(10)13)14(20)17-5-2-11(9-19)3-6-17/h4,7-8,11,19H,2-3,5-6,9H2,1H3
InChIKeyDMGWGCZKASYJPY-UHFFFAOYSA-N
XLogP0.88
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone with MolForge

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Related Compounds

(2,6-dimethylpiperidin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone
CID 84578205
(2-methylpiperidin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone
CID 84578046
methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)piperidine-3-carboxylate
CID 112531599
ethyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
CID 123942366
[4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 43133362
N-[[4-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]methyl]acetamide
CID 112531754
(3-ethoxy-4-methoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60957769
(1-ethylbenzotriazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60958042
1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-4-carboxylic acid
CID 84614360
N'-hydroxy-3-[4-(hydroxymethyl)piperidine-1-carbonyl]benzenecarboximidamide
CID 43156169
(3-amino-4-bromophenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 61092791
1,3-dihydro-2-benzofuran-5-yl-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 55229921

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone?
The IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone (CID 112531725) is [4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone.
What is the SMILES notation for [4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone?
The canonical SMILES for [4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone is Cc1nnc2cc(C(=O)N3CCC(CO)CC3)ccn12.
What is the InChIKey of [4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone?
The InChIKey is DMGWGCZKASYJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-15-16-13-8-12(4-7-18(10)13)14(20)17-5-2-11(9-19)3-6-17/h4,7-8,11,19H,2-3,5-6,9H2,1H3.
What are the key properties of [4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone?
[4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone has a molecular weight of 274.32 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone is sourced from PubChem (CID 112531725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).