[1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone

C17H18N6O2 — CID 70742832

IUPAC[1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)C1CCCN(C(=O)c2ccc3n[nH]nc3c2)C1
InChIInChI=1S/C17H18N6O2/c1-22-8-6-18-16(22)15(24)12-3-2-7-23(10-12)17(25)11-4-5-13-14(9-11)20-21-19-13/h4-6,8-9,12H,2-3,7,10H2,1H3,(H,19,20,21)
InChIKeyHOWHHAAYIXSQDW-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.43
Rot. Bonds3

About [1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone

[1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 70742832) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is [1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID70742832
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name[1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)C1CCCN(C(=O)c2ccc3n[nH]nc3c2)C1
InChIInChI=1S/C17H18N6O2/c1-22-8-6-18-16(22)15(24)12-3-2-7-23(10-12)17(25)11-4-5-13-14(9-11)20-21-19-13/h4-6,8-9,12H,2-3,7,10H2,1H3,(H,19,20,21)
InChIKeyHOWHHAAYIXSQDW-UHFFFAOYSA-N
XLogP1.43
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70786107
(1-methylimidazol-2-yl)-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]piperidin-3-yl]methanone
CID 70723597
2H-benzotriazol-5-yl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110115037
[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70786688
2H-benzotriazol-5-yl-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95343023
2H-benzotriazol-5-yl-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95343024
(1-methylimidazol-2-yl)-[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 70723610
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
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 96577616
(3R)-N-(cyclohexylmethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 126453049
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 [1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone (CID 70742832) is [1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone is Cn1ccnc1C(=O)C1CCCN(C(=O)c2ccc3n[nH]nc3c2)C1.
What is the InChIKey of [1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is HOWHHAAYIXSQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-22-8-6-18-16(22)15(24)12-3-2-7-23(10-12)17(25)11-4-5-13-14(9-11)20-21-19-13/h4-6,8-9,12H,2-3,7,10H2,1H3,(H,19,20,21).
What are the key properties of [1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
[1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 338.37 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 70742832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).