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

C17H24N6O — CID 72899496

IUPAC[4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
SMILESCn1c(Cn2ccnc2)nnc1C1CCN(C(=O)C2(C)CC2)CC1
InChIInChI=1S/C17H24N6O/c1-17(5-6-17)16(24)23-8-3-13(4-9-23)15-20-19-14(21(15)2)11-22-10-7-18-12-22/h7,10,12-13H,3-6,8-9,11H2,1-2H3
InChIKeyQOGWOZISTWLATL-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.57
Rot. Bonds4

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

[4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone (PubChem CID 72899496) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is [4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
PubChem CID72899496
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name[4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
SMILESCn1c(Cn2ccnc2)nnc1C1CCN(C(=O)C2(C)CC2)CC1
InChIInChI=1S/C17H24N6O/c1-17(5-6-17)16(24)23-8-3-13(4-9-23)15-20-19-14(21(15)2)11-22-10-7-18-12-22/h7,10,12-13H,3-6,8-9,11H2,1-2H3
InChIKeyQOGWOZISTWLATL-UHFFFAOYSA-N
XLogP1.57
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(2-imidazol-1-ylethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 53505813
1-(2-(4-((2-isopropyl-1H-imidazol-1-yl)methyl)piperidin-1-yl)-2-oxoethyl)pyrrolidine-2,5-dione
CID 56724045
methyl 4-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidine-1-carboxylate
CID 70738536
4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-[2-methyl-3-(1-pyrrolidinyl)propanoyl]piperidine
CID 70752396
isopropyl 4-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidine-1-carboxylate
CID 70757583
1-[2-(dimethylamino)ethyl]-4-{[4-(1-methyl-1H-imidazol-2-yl)-1-piperidinyl]carbonyl}-2-pyrrolidinone
CID 70777043
1-[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 72142705
4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine
CID 72871457
1-cyclohexyl-4-[4-cyclopropyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 72885805
1-(cyclopropylcarbonyl)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-4-piperidinecarboxamide
CID 72893576
1-(2,2-dimethylpropyl)-3-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidine
CID 72905756
4-[4-cyclopropyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(2,2-dimethylpropyl)piperidine
CID 72912276

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]-(1-methylcyclopropyl)methanone?
The IUPAC name of [4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone (CID 72899496) is [4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone.
What is the SMILES notation for [4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone?
The canonical SMILES for [4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone is Cn1c(Cn2ccnc2)nnc1C1CCN(C(=O)C2(C)CC2)CC1.
What is the InChIKey of [4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone?
The InChIKey is QOGWOZISTWLATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-17(5-6-17)16(24)23-8-3-13(4-9-23)15-20-19-14(21(15)2)11-22-10-7-18-12-22/h7,10,12-13H,3-6,8-9,11H2,1-2H3.
What are the key properties of [4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone?
[4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone has a molecular weight of 328.42 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 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]-(1-methylcyclopropyl)methanone is sourced from PubChem (CID 72899496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).