[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone

C18H26N6O2 — CID 70716993

IUPAC[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
SMILESCOCCn1ccnc1C1CCCN(C(=O)c2nnc3n2CCCC3)C1
InChIInChI=1S/C18H26N6O2/c1-26-12-11-22-10-7-19-16(22)14-5-4-8-23(13-14)18(25)17-21-20-15-6-2-3-9-24(15)17/h7,10,14H,2-6,8-9,11-13H2,1H3
InChIKeyAMTHAADWCCHYKX-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.48
Rot. Bonds5

About [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone

[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone (PubChem CID 70716993) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
PubChem CID70716993
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
SMILESCOCCn1ccnc1C1CCCN(C(=O)c2nnc3n2CCCC3)C1
InChIInChI=1S/C18H26N6O2/c1-26-12-11-22-10-7-19-16(22)14-5-4-8-23(13-14)18(25)17-21-20-15-6-2-3-9-24(15)17/h7,10,14H,2-6,8-9,11-13H2,1H3
InChIKeyAMTHAADWCCHYKX-UHFFFAOYSA-N
XLogP1.48
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone with MolForge

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Related Compounds

4-ethyl-5-(1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}piperidin-3-yl)-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56718322
[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-(1-methylimidazol-2-yl)methanone
CID 97402617
4-[(1-Methylimidazol-2-yl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739527
4-[4-ethyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(2-methoxy-2-methylpropanoyl)piperidine
CID 72837672
1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-({5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}acetyl)piperazine
CID 42517825
4-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}-1-(propoxyacetyl)piperidine
CID 72938755
4-{[1-(2-{2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-piperidinyl}-2-oxoethyl)-1H-tetrazol-5-yl]methyl}morpholine
CID 45248495
4-({3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-piperidinyl}acetyl)morpholine
CID 70743095
1-[4-(1H-imidazol-1-yl)butanoyl]-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine
CID 70784461
4-{4-ethyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}-1-(methoxyacetyl)piperidine
CID 72868233
N-(2-{3-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidin-1-yl}-2-oxoethyl)-N-methylcyclopentanamine
CID 72889359
1-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone
CID 26400106

Frequently Asked Questions

What is the IUPAC name of [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone?
The IUPAC name of [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone (CID 70716993) is [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone.
What is the SMILES notation for [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone?
The canonical SMILES for [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone is COCCn1ccnc1C1CCCN(C(=O)c2nnc3n2CCCC3)C1.
What is the InChIKey of [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone?
The InChIKey is AMTHAADWCCHYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-26-12-11-22-10-7-19-16(22)14-5-4-8-23(13-14)18(25)17-21-20-15-6-2-3-9-24(15)17/h7,10,14H,2-6,8-9,11-13H2,1H3.
What are the key properties of [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone?
[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone has a molecular weight of 358.45 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone is sourced from PubChem (CID 70716993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).