1-[4-(4-butyltriazol-1-yl)piperidin-1-yl]-2-imidazol-1-ylpropan-1-one

C17H26N6O — CID 46995288

IUPAC1-[4-(4-butyltriazol-1-yl)piperidin-1-yl]-2-imidazol-1-ylpropan-1-one
SMILESCCCCc1cn(C2CCN(C(=O)C(C)n3ccnc3)CC2)nn1
InChIInChI=1S/C17H26N6O/c1-3-4-5-15-12-23(20-19-15)16-6-9-21(10-7-16)17(24)14(2)22-11-8-18-13-22/h8,11-14,16H,3-7,9-10H2,1-2H3
InChIKeyRIGZSHMWKGRKJS-UHFFFAOYSA-N
MW330.44 g/mol
LogP2.24
Rot. Bonds6

About 1-[4-(4-butyltriazol-1-yl)piperidin-1-yl]-2-imidazol-1-ylpropan-1-one

1-[4-(4-butyltriazol-1-yl)piperidin-1-yl]-2-imidazol-1-ylpropan-1-one (PubChem CID 46995288) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-[4-(4-butyltriazol-1-yl)piperidin-1-yl]-2-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-butyltriazol-1-yl)piperidin-1-yl]-2-imidazol-1-ylpropan-1-one
PubChem CID46995288
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name1-[4-(4-butyltriazol-1-yl)piperidin-1-yl]-2-imidazol-1-ylpropan-1-one
SMILESCCCCc1cn(C2CCN(C(=O)C(C)n3ccnc3)CC2)nn1
InChIInChI=1S/C17H26N6O/c1-3-4-5-15-12-23(20-19-15)16-6-9-21(10-7-16)17(24)14(2)22-11-8-18-13-22/h8,11-14,16H,3-7,9-10H2,1-2H3
InChIKeyRIGZSHMWKGRKJS-UHFFFAOYSA-N
XLogP2.24
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-propan-2-ylacetamide;hydrochloride
CID 52946859
2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-hexylacetamide;hydrochloride
CID 52947012
2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 52949389
2-[2-[6-(2-Ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 110267869
1-[2-[6-(Methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 118739923
3-Imidazol-1-yl-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 118739930
3-(2-Ethylimidazol-1-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 118739954
1-[(2R)-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one
CID 165111566
2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-propan-2-ylacetamide
CID 52946860
2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-hexylacetamide
CID 52947013
2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-cyclohexylacetamide
CID 52949390
1-[4-(4-Cyclopentyltriazol-1-yl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone;2,2,2-trifluoroacetic acid
CID 154885145

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-butyltriazol-1-yl)piperidin-1-yl]-2-imidazol-1-ylpropan-1-one?
The IUPAC name of 1-[4-(4-butyltriazol-1-yl)piperidin-1-yl]-2-imidazol-1-ylpropan-1-one (CID 46995288) is 1-[4-(4-butyltriazol-1-yl)piperidin-1-yl]-2-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[4-(4-butyltriazol-1-yl)piperidin-1-yl]-2-imidazol-1-ylpropan-1-one?
The canonical SMILES for 1-[4-(4-butyltriazol-1-yl)piperidin-1-yl]-2-imidazol-1-ylpropan-1-one is CCCCc1cn(C2CCN(C(=O)C(C)n3ccnc3)CC2)nn1.
What is the InChIKey of 1-[4-(4-butyltriazol-1-yl)piperidin-1-yl]-2-imidazol-1-ylpropan-1-one?
The InChIKey is RIGZSHMWKGRKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-3-4-5-15-12-23(20-19-15)16-6-9-21(10-7-16)17(24)14(2)22-11-8-18-13-22/h8,11-14,16H,3-7,9-10H2,1-2H3.
What are the key properties of 1-[4-(4-butyltriazol-1-yl)piperidin-1-yl]-2-imidazol-1-ylpropan-1-one?
1-[4-(4-butyltriazol-1-yl)piperidin-1-yl]-2-imidazol-1-ylpropan-1-one has a molecular weight of 330.44 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-butyltriazol-1-yl)piperidin-1-yl]-2-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 46995288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).