(2,3-dimethoxyphenyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone

C18H24N4O3 — CID 50957616

IUPAC(2,3-dimethoxyphenyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCC(Cc3nncn3C)CC2)c1OC
InChIInChI=1S/C18H24N4O3/c1-21-12-19-20-16(21)11-13-7-9-22(10-8-13)18(23)14-5-4-6-15(24-2)17(14)25-3/h4-6,12-13H,7-11H2,1-3H3
InChIKeyDIDCPUUXXKECBX-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.93
Rot. Bonds5

About (2,3-dimethoxyphenyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone

(2,3-dimethoxyphenyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone (PubChem CID 50957616) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
PubChem CID50957616
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(2,3-dimethoxyphenyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCC(Cc3nncn3C)CC2)c1OC
InChIInChI=1S/C18H24N4O3/c1-21-12-19-20-16(21)11-13-7-9-22(10-8-13)18(23)14-5-4-6-15(24-2)17(14)25-3/h4-6,12-13H,7-11H2,1-3H3
InChIKeyDIDCPUUXXKECBX-UHFFFAOYSA-N
XLogP1.93
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,3-dimethoxyphenyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,3-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119647989
[3-(chloromethyl)pyrrolidin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 63396306
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2,3-dimethoxyphenyl)methanone
CID 53193587
(2,3-dimethoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560263
(4-aminopiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 43635827
[3-(bromomethyl)piperidin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 80661384
[3-(2-aminoethyl)piperidin-1-yl]-(2,3-dimethoxyphenyl)methanone;hydrochloride
CID 120727463
CID 163403651
CID 163403651
(2,3-dimethoxyphenyl)-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
CID 110236539
1-(3-methylindazol-1-yl)-5-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pentane-1,5-dione
CID 91919491
(4-amino-3-methylpiperidin-1-yl)-(2,3-dimethoxyphenyl)methanone;hydrochloride
CID 119592562
(2,3-dimethoxyphenyl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163003

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (2,3-dimethoxyphenyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone (CID 50957616) is (2,3-dimethoxyphenyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethoxyphenyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2,3-dimethoxyphenyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone is COc1cccc(C(=O)N2CCC(Cc3nncn3C)CC2)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is DIDCPUUXXKECBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-21-12-19-20-16(21)11-13-7-9-22(10-8-13)18(23)14-5-4-6-15(24-2)17(14)25-3/h4-6,12-13H,7-11H2,1-3H3.
What are the key properties of (2,3-dimethoxyphenyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone?
(2,3-dimethoxyphenyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 344.42 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 50957616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).