[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-3-ylmethanone

C16H19N5O — CID 53192223

IUPAC[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCCC(c2n[nH]c(C3CC3)n2)C1
InChIInChI=1S/C16H19N5O/c22-16(12-3-1-7-17-9-12)21-8-2-4-13(10-21)15-18-14(19-20-15)11-5-6-11/h1,3,7,9,11,13H,2,4-6,8,10H2,(H,18,19,20)
InChIKeyGMAJXFWKUDEIDR-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.10
Rot. Bonds3

About [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-3-ylmethanone

[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 53192223) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID53192223
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCCC(c2n[nH]c(C3CC3)n2)C1
InChIInChI=1S/C16H19N5O/c22-16(12-3-1-7-17-9-12)21-8-2-4-13(10-21)15-18-14(19-20-15)11-5-6-11/h1,3,7,9,11,13H,2,4-6,8,10H2,(H,18,19,20)
InChIKeyGMAJXFWKUDEIDR-UHFFFAOYSA-N
XLogP2.10
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone
CID 75470359
[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 53192150
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 110224388
(3-chloro-4-fluorophenyl)-[(3S)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 124568710
2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136678872
[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95824096
6-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]pyridine-2-carboxamide
CID 95818545
(3-chloro-5-fluorophenyl)-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 138996513
2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136681468
pyridin-3-yl-[3-(2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110214397
[3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 110240084
[(3R)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 124949743

Frequently Asked Questions

What is the IUPAC name of [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-3-ylmethanone (CID 53192223) is [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCCC(c2n[nH]c(C3CC3)n2)C1.
What is the InChIKey of [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is GMAJXFWKUDEIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c22-16(12-3-1-7-17-9-12)21-8-2-4-13(10-21)15-18-14(19-20-15)11-5-6-11/h1,3,7,9,11,13H,2,4-6,8,10H2,(H,18,19,20).
What are the key properties of [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-3-ylmethanone?
[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 297.36 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 53192223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).