2H-benzotriazol-5-yl-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone

C18H22N6O — CID 95343024

IUPAC2H-benzotriazol-5-yl-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCC(C)c1nccn1[C@H]1CCCN(C(=O)c2ccc3n[nH]nc3c2)C1
InChIInChI=1S/C18H22N6O/c1-12(2)17-19-7-9-24(17)14-4-3-8-23(11-14)18(25)13-5-6-15-16(10-13)21-22-20-15/h5-7,9-10,12,14H,3-4,8,11H2,1-2H3,(H,20,21,22)/t14-/m0/s1
InChIKeyIYEKGOXWVQGZQT-AWEZNQCLSA-N
MW338.42 g/mol
LogP2.76
Rot. Bonds3

About 2H-benzotriazol-5-yl-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone

2H-benzotriazol-5-yl-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone (PubChem CID 95343024) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 2H-benzotriazol-5-yl-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name2H-benzotriazol-5-yl-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
PubChem CID95343024
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name2H-benzotriazol-5-yl-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCC(C)c1nccn1[C@H]1CCCN(C(=O)c2ccc3n[nH]nc3c2)C1
InChIInChI=1S/C18H22N6O/c1-12(2)17-19-7-9-24(17)14-4-3-8-23(11-14)18(25)13-5-6-15-16(10-13)21-22-20-15/h5-7,9-10,12,14H,3-4,8,11H2,1-2H3,(H,20,21,22)/t14-/m0/s1
InChIKeyIYEKGOXWVQGZQT-AWEZNQCLSA-N
XLogP2.76
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2H-benzotriazol-5-yl-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

2H-benzotriazol-5-yl-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95343023
1H-indazol-3-yl-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95337039
[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 95343896
2-methyl-6-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidine-1-carbonyl]pyridazin-3-one
CID 95736313
[1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70742832
[(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95336356
2H-benzotriazol-5-yl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110115037
3-[(2S)-oxolan-2-yl]-1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95352561
[(2R)-oxolan-2-yl]-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95349495
2H-benzotriazol-5-yl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029470
2H-benzotriazol-5-yl-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110102495
2H-benzotriazol-5-yl-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 77096803

Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-5-yl-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of 2H-benzotriazol-5-yl-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone (CID 95343024) is 2H-benzotriazol-5-yl-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 2H-benzotriazol-5-yl-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for 2H-benzotriazol-5-yl-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone is CC(C)c1nccn1[C@H]1CCCN(C(=O)c2ccc3n[nH]nc3c2)C1.
What is the InChIKey of 2H-benzotriazol-5-yl-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is IYEKGOXWVQGZQT-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N6O/c1-12(2)17-19-7-9-24(17)14-4-3-8-23(11-14)18(25)13-5-6-15-16(10-13)21-22-20-15/h5-7,9-10,12,14H,3-4,8,11H2,1-2H3,(H,20,21,22)/t14-/m0/s1.
What are the key properties of 2H-benzotriazol-5-yl-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone?
2H-benzotriazol-5-yl-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 338.42 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazol-5-yl-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95343024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).