2-(benzotriazol-1-yl)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone

C18H22N6O — CID 95341017

IUPAC2-(benzotriazol-1-yl)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone
SMILESCCc1nccn1[C@@H]1CCCN(C(=O)Cn2nnc3ccccc32)C1
InChIInChI=1S/C18H22N6O/c1-2-17-19-9-11-23(17)14-6-5-10-22(12-14)18(25)13-24-16-8-4-3-7-15(16)20-21-24/h3-4,7-9,11,14H,2,5-6,10,12-13H2,1H3/t14-/m1/s1
InChIKeyAGDDZMJGZKJTLL-CQSZACIVSA-N
MW338.42 g/mol
LogP2.05
Rot. Bonds4

About 2-(benzotriazol-1-yl)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone

2-(benzotriazol-1-yl)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone (PubChem CID 95341017) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone
PubChem CID95341017
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name2-(benzotriazol-1-yl)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone
SMILESCCc1nccn1[C@@H]1CCCN(C(=O)Cn2nnc3ccccc32)C1
InChIInChI=1S/C18H22N6O/c1-2-17-19-9-11-23(17)14-6-5-10-22(12-14)18(25)13-24-16-8-4-3-7-15(16)20-21-24/h3-4,7-9,11,14H,2,5-6,10,12-13H2,1H3/t14-/m1/s1
InChIKeyAGDDZMJGZKJTLL-CQSZACIVSA-N
XLogP2.05
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-cyclopropylbenzimidazol-1-yl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone
CID 86905670
2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119881391
1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone
CID 95343440
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704387
(1-aminocyclopropyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 119881342
4-(4-chlorophenyl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]butan-1-one
CID 86905684
1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 95341898
N-[2-[2-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide
CID 86935391
1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-propylsulfonylethanone
CID 95341954
2-(benzotriazol-1-yl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 124992393
2-indol-1-yl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95349017
(3S)-1-[2-(benzotriazol-1-yl)acetyl]-N-propylpiperidine-3-carboxamide
CID 94366754

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(benzotriazol-1-yl)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone (CID 95341017) is 2-(benzotriazol-1-yl)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(benzotriazol-1-yl)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(benzotriazol-1-yl)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone is CCc1nccn1[C@@H]1CCCN(C(=O)Cn2nnc3ccccc32)C1.
What is the InChIKey of 2-(benzotriazol-1-yl)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone?
The InChIKey is AGDDZMJGZKJTLL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N6O/c1-2-17-19-9-11-23(17)14-6-5-10-22(12-14)18(25)13-24-16-8-4-3-7-15(16)20-21-24/h3-4,7-9,11,14H,2,5-6,10,12-13H2,1H3/t14-/m1/s1.
What are the key properties of 2-(benzotriazol-1-yl)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone?
2-(benzotriazol-1-yl)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone has a molecular weight of 338.42 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95341017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).