3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-(3-phenylprop-2-enyl)piperidine

C21H26N6 — CID 91940765

IUPAC3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-(3-phenylprop-2-enyl)piperidine
SMILESCn1c(Cn2ccnc2)nnc1C1CCCN(CC=Cc2ccccc2)C1
InChIInChI=1S/C21H26N6/c1-25-20(16-27-14-11-22-17-27)23-24-21(25)19-10-6-13-26(15-19)12-5-9-18-7-3-2-4-8-18/h2-5,7-9,11,14,17,19H,6,10,12-13,15-16H2,1H3
InChIKeyMQFWNEMBTSEBFN-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.95
Rot. Bonds6

About 3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-(3-phenylprop-2-enyl)piperidine

3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-(3-phenylprop-2-enyl)piperidine (PubChem CID 91940765) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is 3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-(3-phenylprop-2-enyl)piperidine.

Molecular Properties

Compound Name3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-(3-phenylprop-2-enyl)piperidine
PubChem CID91940765
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC Name3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-(3-phenylprop-2-enyl)piperidine
SMILESCn1c(Cn2ccnc2)nnc1C1CCCN(CC=Cc2ccccc2)C1
InChIInChI=1S/C21H26N6/c1-25-20(16-27-14-11-22-17-27)23-24-21(25)19-10-6-13-26(15-19)12-5-9-18-7-3-2-4-8-18/h2-5,7-9,11,14,17,19H,6,10,12-13,15-16H2,1H3
InChIKeyMQFWNEMBTSEBFN-UHFFFAOYSA-N
XLogP2.95
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-(3-phenylprop-2-enyl)piperidine 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

(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(E)-3-phenylprop-2-enyl]piperidine
CID 95874627
1-[(2-ethylphenyl)methyl]-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine
CID 72865571
N,N-dimethyl-1-[4-methyl-5-[(3S)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine
CID 95882691
1-[(2-chlorophenyl)methyl]-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine
CID 72917971
4-[[(3R)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
CID 97149770
2-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine
CID 72916662
2-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]acetic acid
CID 72868361
(3S)-1-cycloheptyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine
CID 97188602
(3S)-N-benzyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 97206856
(3S)-1-(1H-imidazol-5-ylmethyl)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine
CID 97201816
benzyl 3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxylate
CID 72876441
5-[[(3S)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 97201324

Frequently Asked Questions

What is the IUPAC name of 3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-(3-phenylprop-2-enyl)piperidine?
The IUPAC name of 3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-(3-phenylprop-2-enyl)piperidine (CID 91940765) is 3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-(3-phenylprop-2-enyl)piperidine.
What is the SMILES notation for 3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-(3-phenylprop-2-enyl)piperidine?
The canonical SMILES for 3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-(3-phenylprop-2-enyl)piperidine is Cn1c(Cn2ccnc2)nnc1C1CCCN(CC=Cc2ccccc2)C1.
What is the InChIKey of 3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-(3-phenylprop-2-enyl)piperidine?
The InChIKey is MQFWNEMBTSEBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6/c1-25-20(16-27-14-11-22-17-27)23-24-21(25)19-10-6-13-26(15-19)12-5-9-18-7-3-2-4-8-18/h2-5,7-9,11,14,17,19H,6,10,12-13,15-16H2,1H3.
What are the key properties of 3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-(3-phenylprop-2-enyl)piperidine?
3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-(3-phenylprop-2-enyl)piperidine has a molecular weight of 362.48 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-1-(3-phenylprop-2-enyl)piperidine is sourced from PubChem (CID 91940765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).