[1-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone

C24H26N4O3 — CID 55955832

IUPAC[1-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCOc1cccc(-n2nnc(C(=O)N3CCC(C(=O)c4ccc(C)cc4)CC3)c2C)c1
InChIInChI=1S/C24H26N4O3/c1-16-7-9-18(10-8-16)23(29)19-11-13-27(14-12-19)24(30)22-17(2)28(26-25-22)20-5-4-6-21(15-20)31-3/h4-10,15,19H,11-14H2,1-3H3
InChIKeyATAOJODDPQUHCS-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.63
Rot. Bonds5

About [1-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone

[1-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone (PubChem CID 55955832) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is [1-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone
PubChem CID55955832
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name[1-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCOc1cccc(-n2nnc(C(=O)N3CCC(C(=O)c4ccc(C)cc4)CC3)c2C)c1
InChIInChI=1S/C24H26N4O3/c1-16-7-9-18(10-8-16)23(29)19-11-13-27(14-12-19)24(30)22-17(2)28(26-25-22)20-5-4-6-21(15-20)31-3/h4-10,15,19H,11-14H2,1-3H3
InChIKeyATAOJODDPQUHCS-UHFFFAOYSA-N
XLogP3.63
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methoxyphenyl)-[4-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]piperazin-1-yl]methanone
CID 55885758
1-[4-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]ethanone
CID 39888524
[4-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 38043269
(3-hydroxy-6-azaspiro[3.4]octan-6-yl)-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanone
CID 167751344
2-[4-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide
CID 55669128
[4-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 32568987
(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanone
CID 167898988
2-(3-methoxyphenyl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone
CID 55955179
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanone
CID 55719105
[1-(3-bromophenyl)-5-methyltriazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119560541
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
N'-(3,4-dimethoxybenzoyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carbohydrazide
CID 55648326

Frequently Asked Questions

What is the IUPAC name of [1-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone?
The IUPAC name of [1-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone (CID 55955832) is [1-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [1-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone is COc1cccc(-n2nnc(C(=O)N3CCC(C(=O)c4ccc(C)cc4)CC3)c2C)c1.
What is the InChIKey of [1-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone?
The InChIKey is ATAOJODDPQUHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-16-7-9-18(10-8-16)23(29)19-11-13-27(14-12-19)24(30)22-17(2)28(26-25-22)20-5-4-6-21(15-20)31-3/h4-10,15,19H,11-14H2,1-3H3.
What are the key properties of [1-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone?
[1-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone has a molecular weight of 418.50 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 55955832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).