1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one

C17H26N6O2 — CID 70706290

IUPAC1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
SMILESCOCCn1ccnc1C1CCCN(C(=O)CCCn2cncn2)C1
InChIInChI=1S/C17H26N6O2/c1-25-11-10-21-9-6-19-17(21)15-4-2-7-22(12-15)16(24)5-3-8-23-14-18-13-20-23/h6,9,13-15H,2-5,7-8,10-12H2,1H3
InChIKeyYASPMEWTDPFRFR-UHFFFAOYSA-N
MW346.44 g/mol
LogP1.31
Rot. Bonds8

About 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one

1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one (PubChem CID 70706290) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one.

Molecular Properties

Compound Name1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
PubChem CID70706290
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
SMILESCOCCn1ccnc1C1CCCN(C(=O)CCCn2cncn2)C1
InChIInChI=1S/C17H26N6O2/c1-25-11-10-21-9-6-19-17(21)15-4-2-7-22(12-15)16(24)5-3-8-23-14-18-13-20-23/h6,9,13-15H,2-5,7-8,10-12H2,1H3
InChIKeyYASPMEWTDPFRFR-UHFFFAOYSA-N
XLogP1.31
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one with MolForge

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Related Compounds

5-(1-Butyltetrazol-5-yl)-1-(3-imidazol-1-ylpropyl)-5-methylpyrrolidin-2-one
CID 53300809
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
methyl 4-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidine-1-carboxylate
CID 70738536
isopropyl 4-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidine-1-carboxylate
CID 70757583
4-imidazol-1-yl-1-[2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]butan-1-one
CID 71872794
4-(2-methylimidazol-1-yl)-1-[2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]butan-1-one
CID 71872806
1-[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 72142705
4-(2-Methylimidazol-1-yl)-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one
CID 72146979
4-(2-Methylimidazol-1-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one
CID 72147029
4-Imidazol-1-yl-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one
CID 72147118
3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)thio]acetyl}piperidine
CID 72852648
1-(methoxyacetyl)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-4-piperidinecarboxamide
CID 72880226

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one?
The IUPAC name of 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one (CID 70706290) is 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one.
What is the SMILES notation for 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one?
The canonical SMILES for 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one is COCCn1ccnc1C1CCCN(C(=O)CCCn2cncn2)C1.
What is the InChIKey of 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one?
The InChIKey is YASPMEWTDPFRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-25-11-10-21-9-6-19-17(21)15-4-2-7-22(12-15)16(24)5-3-8-23-14-18-13-20-23/h6,9,13-15H,2-5,7-8,10-12H2,1H3.
What are the key properties of 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one?
1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one has a molecular weight of 346.44 g/mol, XLogP of 1.31, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one is sourced from PubChem (CID 70706290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).