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

C17H27N7O — CID 70722962

IUPAC4-[[5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCn1c(CN2CCOCC2)nnc1C1CCN(Cc2cnc[nH]2)CC1
InChIInChI=1S/C17H27N7O/c1-22-16(12-24-6-8-25-9-7-24)20-21-17(22)14-2-4-23(5-3-14)11-15-10-18-13-19-15/h10,13-14H,2-9,11-12H2,1H3,(H,18,19)
InChIKeyYBHOGVSGZMVZGZ-UHFFFAOYSA-N
MW345.45 g/mol
LogP0.75
Rot. Bonds5

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

4-[[5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 70722962) has the molecular formula C17H27N7O and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-[[5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID70722962
Molecular FormulaC17H27N7O
Molecular Weight345.45 g/mol
Exact Mass345.23
IUPAC Name4-[[5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCn1c(CN2CCOCC2)nnc1C1CCN(Cc2cnc[nH]2)CC1
InChIInChI=1S/C17H27N7O/c1-22-16(12-24-6-8-25-9-7-24)20-21-17(22)14-2-4-23(5-3-14)11-15-10-18-13-19-15/h10,13-14H,2-9,11-12H2,1H3,(H,18,19)
InChIKeyYBHOGVSGZMVZGZ-UHFFFAOYSA-N
XLogP0.75
TPSA75.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-(cyclopropylmethyl)-9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396293
1-[(4-methyl-1H-imidazol-5-yl)methyl]-4-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 70721798
4-{4-ethyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}-1-(1H-imidazol-4-ylmethyl)piperidine
CID 72890372
1-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]-N-methyl-N-[(2-methyl-1H-imidazol-4-yl)methyl]methanamine
CID 74235767
1-[(2-butyl-1H-imidazol-4-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)piperidine
CID 129623994
4-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-9-(1H-imidazol-5-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 171359864
4-({5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 70730570
9-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396280
4-[(4-methyl-5-{1-[(4-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl}-4H-1,2,4-triazol-3-yl)methyl]morpholine
CID 119071685
1-(1-ethyl-2-pyrrolidinyl)-N-(1H-imidazol-4-ylmethyl)-N-{[1-(2-methoxyethyl)-4-piperidinyl]methyl}methanamine
CID 45212641
1-(2-butyl-1H-imidazol-4-yl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-N-{[1-(2-methoxyethyl)-4-piperidinyl]methyl}methanamine
CID 45224592
[5-({1-[(2-butyl-1H-imidazol-4-yl)methyl]piperidin-4-yl}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]methanol
CID 50965470

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine (CID 70722962) is 4-[[5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine is Cn1c(CN2CCOCC2)nnc1C1CCN(Cc2cnc[nH]2)CC1.
What is the InChIKey of 4-[[5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is YBHOGVSGZMVZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O/c1-22-16(12-24-6-8-25-9-7-24)20-21-17(22)14-2-4-23(5-3-14)11-15-10-18-13-19-15/h10,13-14H,2-9,11-12H2,1H3,(H,18,19).
What are the key properties of 4-[[5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 345.45 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 70722962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).