1-(cyclobutylmethyl)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine

C18H28N6 — CID 72927968

IUPAC1-(cyclobutylmethyl)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine
SMILESCc1nccn1Cc1nnc(C2CCCN(CC3CCC3)C2)n1C
InChIInChI=1S/C18H28N6/c1-14-19-8-10-24(14)13-17-20-21-18(22(17)2)16-7-4-9-23(12-16)11-15-5-3-6-15/h8,10,15-16H,3-7,9,11-13H2,1-2H3
InChIKeyGZMLRTGXBMSVAV-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.35
Rot. Bonds5

About 1-(cyclobutylmethyl)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine

1-(cyclobutylmethyl)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine (PubChem CID 72927968) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine
PubChem CID72927968
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC Name1-(cyclobutylmethyl)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine
SMILESCc1nccn1Cc1nnc(C2CCCN(CC3CCC3)C2)n1C
InChIInChI=1S/C18H28N6/c1-14-19-8-10-24(14)13-17-20-21-18(22(17)2)16-7-4-9-23(12-16)11-15-5-3-6-15/h8,10,15-16H,3-7,9,11-13H2,1-2H3
InChIKeyGZMLRTGXBMSVAV-UHFFFAOYSA-N
XLogP2.35
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(cyclobutylmethyl)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[4-Cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine
CID 72918546
N-(2-imidazol-1-ylethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 53505813
1-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]piperazine
CID 53590281
methyl 4-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidine-1-carboxylate
CID 70738536
3-(1-methyl-1H-imidazol-2-yl)-1-[3-(2-methyl-1H-imidazol-1-yl)propyl]piperidine
CID 70743009
4-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-[3-(2-methyl-1H-imidazol-1-yl)propyl]piperidine
CID 70771458
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 71928295
3-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-(isopropylsulfonyl)piperidine
CID 72860784
1-cyclohexyl-3-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidine
CID 72866892
4-[4-cyclopropyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-[3-(methylthio)propyl]piperidine
CID 72874958
3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-[3-(2-methyl-1H-imidazol-1-yl)propyl]piperidine
CID 72877825
1-cyclohexyl-4-[4-cyclopropyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 72885805

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 1-(cyclobutylmethyl)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine (CID 72927968) is 1-(cyclobutylmethyl)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 1-(cyclobutylmethyl)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine is Cc1nccn1Cc1nnc(C2CCCN(CC3CCC3)C2)n1C.
What is the InChIKey of 1-(cyclobutylmethyl)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine?
The InChIKey is GZMLRTGXBMSVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6/c1-14-19-8-10-24(14)13-17-20-21-18(22(17)2)16-7-4-9-23(12-16)11-15-5-3-6-15/h8,10,15-16H,3-7,9,11-13H2,1-2H3.
What are the key properties of 1-(cyclobutylmethyl)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine?
1-(cyclobutylmethyl)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine has a molecular weight of 328.46 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 72927968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).