4-[[5-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine

C19H31N7O — CID 72840948

IUPAC4-[[5-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCCn1ccnc1CN1CCC(c2nnc(CN3CCOCC3)n2C)CC1
InChIInChI=1S/C19H31N7O/c1-3-26-9-6-20-17(26)14-24-7-4-16(5-8-24)19-22-21-18(23(19)2)15-25-10-12-27-13-11-25/h6,9,16H,3-5,7-8,10-15H2,1-2H3
InChIKeyUEABKCKUPMFOAS-UHFFFAOYSA-N
MW373.51 g/mol
LogP1.24
Rot. Bonds6

About 4-[[5-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine

4-[[5-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 72840948) has the molecular formula C19H31N7O and a molecular weight of 373.51 g/mol. Its IUPAC name is 4-[[5-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID72840948
Molecular FormulaC19H31N7O
Molecular Weight373.51 g/mol
Exact Mass373.26
IUPAC Name4-[[5-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCCn1ccnc1CN1CCC(c2nnc(CN3CCOCC3)n2C)CC1
InChIInChI=1S/C19H31N7O/c1-3-26-9-6-20-17(26)14-24-7-4-16(5-8-24)19-22-21-18(23(19)2)15-25-10-12-27-13-11-25/h6,9,16H,3-5,7-8,10-15H2,1-2H3
InChIKeyUEABKCKUPMFOAS-UHFFFAOYSA-N
XLogP1.24
TPSA64.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.51
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[5-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidine-1-carboxylate
CID 70738536
4-{2-[4-(1-methyl-1H-imidazol-2-yl)-1-piperidinyl]ethyl}morpholine
CID 70756829
isopropyl 4-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidine-1-carboxylate
CID 70757583
2-{4-[4-cyclopropyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}propane-1,3-diol
CID 72881974
2-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyrazine
CID 72889006
1-(2,2-dimethylpropyl)-3-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidine
CID 72905756
4-[4-cyclopropyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(tetrahydro-2H-pyran-4-yl)piperidine
CID 72920454
2-(3-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidin-1-yl)pyrazine
CID 72935848
2-[3-[4-(2-Methoxyethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine
CID 110256935
cis-3-[5-[(2-ethyl-1H-imidazol-1-yl)methyl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91768330
4-[4-ethyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(2-methoxy-2-methylpropanoyl)piperidine
CID 72837672
4-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}-1-(propoxyacetyl)piperidine
CID 72938755

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[5-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine (CID 72840948) is 4-[[5-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine is CCn1ccnc1CN1CCC(c2nnc(CN3CCOCC3)n2C)CC1.
What is the InChIKey of 4-[[5-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is UEABKCKUPMFOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N7O/c1-3-26-9-6-20-17(26)14-24-7-4-16(5-8-24)19-22-21-18(23(19)2)15-25-10-12-27-13-11-25/h6,9,16H,3-5,7-8,10-15H2,1-2H3.
What are the key properties of 4-[[5-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[5-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 373.51 g/mol, XLogP of 1.24, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 72840948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).