cyclohexyl-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone

C19H26N4O — CID 654720

IUPACcyclohexyl-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone
SMILESCc1ccc2c(c1)nnn2C1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C19H26N4O/c1-14-7-8-18-17(13-14)20-21-23(18)16-9-11-22(12-10-16)19(24)15-5-3-2-4-6-15/h7-8,13,15-16H,2-6,9-12H2,1H3
InChIKeyIYDCRWNGVOXHIB-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.48
Rot. Bonds2

About cyclohexyl-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone

cyclohexyl-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone (PubChem CID 654720) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is cyclohexyl-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone
PubChem CID654720
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Namecyclohexyl-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone
SMILESCc1ccc2c(c1)nnn2C1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C19H26N4O/c1-14-7-8-18-17(13-14)20-21-23(18)16-9-11-22(12-10-16)19(24)15-5-3-2-4-6-15/h7-8,13,15-16H,2-6,9-12H2,1H3
InChIKeyIYDCRWNGVOXHIB-UHFFFAOYSA-N
XLogP3.48
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Methyl-2,3-dihydroindol-1-yl)-2-[4-[5-(trifluoromethyl)-1-benzotriazolyl]-1-piperidinyl]ethanone
CID 3229070
1H-benzotriazol-1-yl[4-(dimethylamino)phenyl]methanone
CID 694547
1-(2,3-Dihydro-indol-1-yl)-2-[4-(5-trifluoromethyl-benzotriazol-1-yl)-piperidin-1-yl]-ethanone
CID 645204
2-(4-Benzotriazol-1-yl-piperidin-1-yl)-N-indan-5-yl-acetamide
CID 645302
[4-(5-Fluoro-benzotriazol-1-yl)-piperidin-1-yl]-m-tolyl-methanone
CID 645649
2-[4-(5-Methyl-benzotriazol-1-yl)-piperidin-1-yl]-N-(2-morpholin-4-yl-phenyl)-acetamide
CID 648572
3-Benzotriazol-1-yl-1-(4-phenyl-piperazin-1-yl)-propan-1-one
CID 653134
3-(benzotriazol-1-yl)-N-(4-methylphenyl)propanamide
CID 863078
N-cyclohexyl-1-methyl-1H-1,2,3-benzotriazole-5-carboxamide
CID 900740
N-[2-(1-cyclohexen-1-yl)ethyl]-1-methyl-1H-1,2,3-benzotriazole-5-carboxamide
CID 977104
[4-(Benzotriazol-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 1469544
2-Methoxy-1-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone
CID 1469604

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone (CID 654720) is cyclohexyl-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone is Cc1ccc2c(c1)nnn2C1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of cyclohexyl-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is IYDCRWNGVOXHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14-7-8-18-17(13-14)20-21-23(18)16-9-11-22(12-10-16)19(24)15-5-3-2-4-6-15/h7-8,13,15-16H,2-6,9-12H2,1H3.
What are the key properties of cyclohexyl-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone?
cyclohexyl-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 326.44 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 654720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).