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

C17H25N7O2 — CID 70730695

IUPAC[4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCn1c(Cn2ccnc2)nnc1C1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H25N7O2/c1-21-15(12-22-7-4-18-13-22)19-20-16(21)14-2-5-23(6-3-14)17(25)24-8-10-26-11-9-24/h4,7,13-14H,2-3,5-6,8-12H2,1H3
InChIKeyYBXWLMRQSVUGCD-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.69
Rot. Bonds3

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

[4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 70730695) has the molecular formula C17H25N7O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is [4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID70730695
Molecular FormulaC17H25N7O2
Molecular Weight359.43 g/mol
Exact Mass359.21
IUPAC Name[4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCn1c(Cn2ccnc2)nnc1C1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H25N7O2/c1-21-15(12-22-7-4-18-13-22)19-20-16(21)14-2-5-23(6-3-14)17(25)24-8-10-26-11-9-24/h4,7,13-14H,2-3,5-6,8-12H2,1H3
InChIKeyYBXWLMRQSVUGCD-UHFFFAOYSA-N
XLogP0.69
TPSA81.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone 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
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-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine
CID 72871457
4-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-[(1-methylcyclopropyl)carbonyl]piperidine
CID 72899496
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-(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
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
1-[[(2S)-1,4-dioxan-2-yl]methyl]-5-[(2-methylimidazol-1-yl)methyl]-3-(oxan-4-yl)-1,2,4-triazole
CID 97931960

Frequently Asked Questions

What is the IUPAC name of [4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone (CID 70730695) is [4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone is Cn1c(Cn2ccnc2)nnc1C1CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of [4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is YBXWLMRQSVUGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O2/c1-21-15(12-22-7-4-18-13-22)19-20-16(21)14-2-5-23(6-3-14)17(25)24-8-10-26-11-9-24/h4,7,13-14H,2-3,5-6,8-12H2,1H3.
What are the key properties of [4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone?
[4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 359.43 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 70730695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).