6-(2,6-dimethoxyphenyl)-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-2-one

C21H24N4O3 — CID 86695653

IUPAC6-(2,6-dimethoxyphenyl)-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2c(c1)nnn2C
InChIInChI=1S/C21H24N4O3/c1-24-16-11-10-14(12-15(16)22-23-24)13-25-17(6-4-9-20(25)26)21-18(27-2)7-5-8-19(21)28-3/h5,7-8,10-12,17H,4,6,9,13H2,1-3H3
InChIKeyFMHNFFMYNNKLRL-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.24
Rot. Bonds5

About 6-(2,6-dimethoxyphenyl)-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-2-one

6-(2,6-dimethoxyphenyl)-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-2-one (PubChem CID 86695653) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 6-(2,6-dimethoxyphenyl)-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name6-(2,6-dimethoxyphenyl)-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-2-one
PubChem CID86695653
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name6-(2,6-dimethoxyphenyl)-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2c(c1)nnn2C
InChIInChI=1S/C21H24N4O3/c1-24-16-11-10-14(12-15(16)22-23-24)13-25-17(6-4-9-20(25)26)21-18(27-2)7-5-8-19(21)28-3/h5,7-8,10-12,17H,4,6,9,13H2,1-3H3
InChIKeyFMHNFFMYNNKLRL-UHFFFAOYSA-N
XLogP3.24
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide
CID 4802476
1-Cyclopentyl-N-[(2-methoxyphenyl)methyl]-1H-1,2,3-benzotriazole-5-carboxamide
CID 16024634
N-(4-methoxyphenyl)-N,1-dimethylbenzotriazole-5-carboxamide
CID 1088599
1-(3-(1H-1,2,3-triazol-1-yl)benzyl)-6-(2,6-dimethoxyphenyl)piperidin-2-one
CID 69082500
6-(2,6-dimethoxyphenyl)-1-((9-methyl-9H-carbazol-3-yl)methyl)piperidin-2-one
CID 69082724
6-(2,6-Dimethoxyphenyl)-1-(quinoxalin-6-ylmethyl)piperidin-2-one
CID 69083291
6-(2,6-dimethoxyphenyl)-1-((1-methyl-1H-indol-2-yl)methyl)piperidin-2-one
CID 69083628
1-(Benzo[c][1,2,5]oxadiazol-5-ylmethyl)-6-(2,6-dimethoxyphenyl)piperidin-2-one
CID 69083827
(4-Fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)benzotriazol-5-yl]methanone
CID 163260913
2-[(2-Benzotriazol-1-yl-acetyl)-butyl-amino]-2-(2,4-dimethoxy-phenyl)-N-(2-methoxy-ethyl)-acetamide
CID 648541
2-[Allyl-(2-benzotriazol-1-yl-acetyl)-amino]-2-(2,4-dimethoxy-phenyl)-N-(2-methoxy-ethyl)-acetamide
CID 645363
(2-Ethoxy-phenyl)-[4-(5-methyl-benzotriazol-1-yl)-piperidin-1-yl]-methanone
CID 648039

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-2-one?
The IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-2-one (CID 86695653) is 6-(2,6-dimethoxyphenyl)-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-2-one.
What is the SMILES notation for 6-(2,6-dimethoxyphenyl)-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-2-one?
The canonical SMILES for 6-(2,6-dimethoxyphenyl)-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-2-one is COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2c(c1)nnn2C.
What is the InChIKey of 6-(2,6-dimethoxyphenyl)-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-2-one?
The InChIKey is FMHNFFMYNNKLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-24-16-11-10-14(12-15(16)22-23-24)13-25-17(6-4-9-20(25)26)21-18(27-2)7-5-8-19(21)28-3/h5,7-8,10-12,17H,4,6,9,13H2,1-3H3.
What are the key properties of 6-(2,6-dimethoxyphenyl)-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-2-one?
6-(2,6-dimethoxyphenyl)-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-2-one has a molecular weight of 380.45 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethoxyphenyl)-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-2-one is sourced from PubChem (CID 86695653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).