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

C18H27N7O2 — CID 70763318

IUPAC2-imidazol-1-yl-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
SMILESCn1c(CN2CCOCC2)nnc1C1CCCN(C(=O)Cn2ccnc2)C1
InChIInChI=1S/C18H27N7O2/c1-22-16(12-23-7-9-27-10-8-23)20-21-18(22)15-3-2-5-25(11-15)17(26)13-24-6-4-19-14-24/h4,6,14-15H,2-3,5,7-13H2,1H3
InChIKeyXENQMPDHBZWNDW-UHFFFAOYSA-N
MW373.46 g/mol
LogP0.25
Rot. Bonds5

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

2-imidazol-1-yl-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone (PubChem CID 70763318) has the molecular formula C18H27N7O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-imidazol-1-yl-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
PubChem CID70763318
Molecular FormulaC18H27N7O2
Molecular Weight373.46 g/mol
Exact Mass373.22
IUPAC Name2-imidazol-1-yl-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
SMILESCn1c(CN2CCOCC2)nnc1C1CCCN(C(=O)Cn2ccnc2)C1
InChIInChI=1S/C18H27N7O2/c1-22-16(12-23-7-9-27-10-8-23)20-21-18(22)15-3-2-5-25(11-15)17(26)13-24-6-4-19-14-24/h4,6,14-15H,2-3,5,7-13H2,1H3
InChIKeyXENQMPDHBZWNDW-UHFFFAOYSA-N
XLogP0.25
TPSA81.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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
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
3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)thio]acetyl}piperidine
CID 72852648
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
3-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}-1-(3,3,3-trifluoropropanoyl)piperidine
CID 72854552
3-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-(3,3,3-trifluoropropanoyl)piperidine
CID 72928935
3-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-(4,4,4-trifluorobutanoyl)piperidine
CID 72929146

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-imidazol-1-yl-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone (CID 70763318) is 2-imidazol-1-yl-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-imidazol-1-yl-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-imidazol-1-yl-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone is Cn1c(CN2CCOCC2)nnc1C1CCCN(C(=O)Cn2ccnc2)C1.
What is the InChIKey of 2-imidazol-1-yl-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
The InChIKey is XENQMPDHBZWNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O2/c1-22-16(12-23-7-9-27-10-8-23)20-21-18(22)15-3-2-5-25(11-15)17(26)13-24-6-4-19-14-24/h4,6,14-15H,2-3,5,7-13H2,1H3.
What are the key properties of 2-imidazol-1-yl-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
2-imidazol-1-yl-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone has a molecular weight of 373.46 g/mol, XLogP of 0.25, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 70763318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).