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

C19H31N7O — CID 70722139

IUPAC4-[[5-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCCn1ccnc1CN1CCCC(c2nnc(CN3CCOCC3)n2C)C1
InChIInChI=1S/C19H31N7O/c1-3-26-8-6-20-17(26)14-25-7-4-5-16(13-25)19-22-21-18(23(19)2)15-24-9-11-27-12-10-24/h6,8,16H,3-5,7,9-15H2,1-2H3
InChIKeyKUKNSBIVTHNSLK-UHFFFAOYSA-N
MW373.51 g/mol
LogP1.24
Rot. Bonds6

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

4-[[5-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 70722139) 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-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID70722139
Molecular FormulaC19H31N7O
Molecular Weight373.51 g/mol
Exact Mass373.26
IUPAC Name4-[[5-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCCn1ccnc1CN1CCCC(c2nnc(CN3CCOCC3)n2C)C1
InChIInChI=1S/C19H31N7O/c1-3-26-8-6-20-17(26)14-25-7-4-5-16(13-25)19-22-21-18(23(19)2)15-24-9-11-27-12-10-24/h6,8,16H,3-5,7,9-15H2,1-2H3
InChIKeyKUKNSBIVTHNSLK-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-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine with MolForge

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Launch Full Analysis

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
4-{2-[4-(1-methyl-1H-imidazol-2-yl)-1-piperidinyl]ethyl}morpholine
CID 70756829
1-cyclohexyl-3-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidine
CID 72866892
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
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
cis-3-[5-[(2-ethyl-1H-imidazol-1-yl)methyl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91768330
1-(cyclobutylmethyl)-3-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidine
CID 72927968
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-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[5-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine (CID 70722139) is 4-[[5-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-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-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine is CCn1ccnc1CN1CCCC(c2nnc(CN3CCOCC3)n2C)C1.
What is the InChIKey of 4-[[5-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is KUKNSBIVTHNSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N7O/c1-3-26-8-6-20-17(26)14-25-7-4-5-16(13-25)19-22-21-18(23(19)2)15-24-9-11-27-12-10-24/h6,8,16H,3-5,7,9-15H2,1-2H3.
What are the key properties of 4-[[5-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[5-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-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-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 70722139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).