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

C16H21N5O2 — CID 53192150

IUPAC[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCOCCc1nc(C2CCCN(C(=O)c3cccnc3)C2)n[nH]1
InChIInChI=1S/C16H21N5O2/c1-23-9-6-14-18-15(20-19-14)13-5-3-8-21(11-13)16(22)12-4-2-7-17-10-12/h2,4,7,10,13H,3,5-6,8-9,11H2,1H3,(H,18,19,20)
InChIKeyFBVWGNYBYHKNRY-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.41
Rot. Bonds5

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

[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 53192150) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is [3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID53192150
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCOCCc1nc(C2CCCN(C(=O)c3cccnc3)C2)n[nH]1
InChIInChI=1S/C16H21N5O2/c1-23-9-6-14-18-15(20-19-14)13-5-3-8-21(11-13)16(22)12-4-2-7-17-10-12/h2,4,7,10,13H,3,5-6,8-9,11H2,1H3,(H,18,19,20)
InChIKeyFBVWGNYBYHKNRY-UHFFFAOYSA-N
XLogP1.41
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone with MolForge

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Related Compounds

[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 53192223
(2-ethoxyphenyl)-[(3S)-3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 95110997
(5-chlorothiophen-2-yl)-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 53192137
[3-(2-methoxyethoxy)phenyl]-(3-pyridin-3-ylpiperidin-1-yl)methanone
CID 126826318
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 110224388
[(3R)-3-[5-(2-methoxyethylamino)-1,6-naphthyridin-7-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 92611238
[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822293
[(3R)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 124949743
N-[4-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]-1,3-thiazol-2-yl]acetamide
CID 95828395
[(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-(chloromethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 63392979

Frequently Asked Questions

What is the IUPAC name of [3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 53192150) is [3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone is COCCc1nc(C2CCCN(C(=O)c3cccnc3)C2)n[nH]1.
What is the InChIKey of [3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is FBVWGNYBYHKNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-23-9-6-14-18-15(20-19-14)13-5-3-8-21(11-13)16(22)12-4-2-7-17-10-12/h2,4,7,10,13H,3,5-6,8-9,11H2,1H3,(H,18,19,20).
What are the key properties of [3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 315.38 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 53192150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).