pyridin-2-yl-[4-(triazol-1-yl)piperidin-1-yl]methanone

C13H15N5O — CID 121151128

IUPACpyridin-2-yl-[4-(triazol-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccccn1)N1CCC(n2ccnn2)CC1
InChIInChI=1S/C13H15N5O/c19-13(12-3-1-2-6-14-12)17-8-4-11(5-9-17)18-10-7-15-16-18/h1-3,6-7,10-11H,4-5,8-9H2
InChIKeyMMWNKDWJSSCERF-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.15
Rot. Bonds2

About pyridin-2-yl-[4-(triazol-1-yl)piperidin-1-yl]methanone

pyridin-2-yl-[4-(triazol-1-yl)piperidin-1-yl]methanone (PubChem CID 121151128) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is pyridin-2-yl-[4-(triazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-2-yl-[4-(triazol-1-yl)piperidin-1-yl]methanone
PubChem CID121151128
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Namepyridin-2-yl-[4-(triazol-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccccn1)N1CCC(n2ccnn2)CC1
InChIInChI=1S/C13H15N5O/c19-13(12-3-1-2-6-14-12)17-8-4-11(5-9-17)18-10-7-15-16-18/h1-3,6-7,10-11H,4-5,8-9H2
InChIKeyMMWNKDWJSSCERF-UHFFFAOYSA-N
XLogP1.15
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 21221047
1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110814030
2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79614951
(1-oxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone
CID 110743476
[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 164836489
[4-(triazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121151178
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
[4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 131897535
1-[1-(pyridine-2-carbonyl)piperidin-4-yl]cyclopropane-1-carboxylic acid
CID 68604423
[(4R)-4-(dimethylamino)azepan-1-yl]-pyridin-2-ylmethanone
CID 95710719
[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 2608181

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[4-(triazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of pyridin-2-yl-[4-(triazol-1-yl)piperidin-1-yl]methanone (CID 121151128) is pyridin-2-yl-[4-(triazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for pyridin-2-yl-[4-(triazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for pyridin-2-yl-[4-(triazol-1-yl)piperidin-1-yl]methanone is O=C(c1ccccn1)N1CCC(n2ccnn2)CC1.
What is the InChIKey of pyridin-2-yl-[4-(triazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is MMWNKDWJSSCERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c19-13(12-3-1-2-6-14-12)17-8-4-11(5-9-17)18-10-7-15-16-18/h1-3,6-7,10-11H,4-5,8-9H2.
What are the key properties of pyridin-2-yl-[4-(triazol-1-yl)piperidin-1-yl]methanone?
pyridin-2-yl-[4-(triazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 257.30 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[4-(triazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 121151128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).