[1-(4-methoxyphenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone

C19H20N4O2 — CID 164780318

IUPAC[1-(4-methoxyphenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-n2nnc3cc(C(=O)N4CCCCC4)ccc32)cc1
InChIInChI=1S/C19H20N4O2/c1-25-16-8-6-15(7-9-16)23-18-10-5-14(13-17(18)20-21-23)19(24)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12H2,1H3
InChIKeyZMJRAMUDVOOPOQ-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.06
Rot. Bonds3

About [1-(4-methoxyphenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone

[1-(4-methoxyphenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 164780318) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone
PubChem CID164780318
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name[1-(4-methoxyphenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-n2nnc3cc(C(=O)N4CCCCC4)ccc32)cc1
InChIInChI=1S/C19H20N4O2/c1-25-16-8-6-15(7-9-16)23-18-10-5-14(13-17(18)20-21-23)19(24)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12H2,1H3
InChIKeyZMJRAMUDVOOPOQ-UHFFFAOYSA-N
XLogP3.06
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-Methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
CID 3474778
N-(2-methoxyphenyl)-1-methyl-1H-benzotriazole-5-carboxamide
CID 1088600
N,N-diisopentyl-2-(4-methoxyphenylamino)-3-(3-(piperidin-1-yl)propyl)-3H-benzo[d]imidazole-5-carboxamide
CID 44432930
N-(4-methoxyphenyl)-N-methyl-2,3-diphenyl-6-quinoxalinecarboxamide
CID 1732274
N-[(3-methoxyphenyl)methyl]-N-methylquinoxaline-6-carboxamide
CID 2539011
1-(4-methoxyphenyl)-2-methyl-5-(morpholin-4-ylcarbonyl)-1H-benzimidazole
CID 3239407
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide
CID 4802476
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzo[c][1,2,5]oxadiazole-5-carboxamide
CID 11618408
3-(4-Methoxyphenyl)-5-methyl-1-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-3H,4H,5H-pyridazino[4,5-B]indol-4-one
CID 16020074
1-Cyclopentyl-N-[(2-methoxyphenyl)methyl]-1H-1,2,3-benzotriazole-5-carboxamide
CID 16024634
2,3-diethyl-N-[2-(2-methoxyphenyl)ethyl]quinoxaline-6-carboxamide
CID 16033597
N-[4-[3-(2-Methoxyphenyl)piperazin-1-yl]propyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 44589129

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(4-methoxyphenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone (CID 164780318) is [1-(4-methoxyphenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(4-methoxyphenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(4-methoxyphenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone is COc1ccc(-n2nnc3cc(C(=O)N4CCCCC4)ccc32)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is ZMJRAMUDVOOPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-25-16-8-6-15(7-9-16)23-18-10-5-14(13-17(18)20-21-23)19(24)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12H2,1H3.
What are the key properties of [1-(4-methoxyphenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone?
[1-(4-methoxyphenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 336.40 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 164780318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).