[4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone

C23H28N2O3 — CID 22578171

IUPAC[4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone
SMILESCOc1ccc2c(c1)CC(C(=O)N1CCN(c3cccc(C)c3C)CC1)CO2
InChIInChI=1S/C23H28N2O3/c1-16-5-4-6-21(17(16)2)24-9-11-25(12-10-24)23(26)19-13-18-14-20(27-3)7-8-22(18)28-15-19/h4-8,14,19H,9-13,15H2,1-3H3
InChIKeyBJHDFOAXKNHUDN-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.21
Rot. Bonds3

About [4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone

[4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone (PubChem CID 22578171) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is [4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone.

Molecular Properties

Compound Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone
PubChem CID22578171
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone
SMILESCOc1ccc2c(c1)CC(C(=O)N1CCN(c3cccc(C)c3C)CC1)CO2
InChIInChI=1S/C23H28N2O3/c1-16-5-4-6-21(17(16)2)24-9-11-25(12-10-24)23(26)19-13-18-14-20(27-3)7-8-22(18)28-15-19/h4-8,14,19H,9-13,15H2,1-3H3
InChIKeyBJHDFOAXKNHUDN-UHFFFAOYSA-N
XLogP3.21
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone with MolForge

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Related Compounds

[(3S)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 8968410
(4-aminopiperidin-1-yl)-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone;hydrochloride
CID 119375217
3,4-dihydro-2H-chromen-3-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 18093513
(3S)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7061285
[(3S)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 8967651
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone
CID 72925235
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
CID 97149143
(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119397224
6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 47170033
[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
CID 92598542
3,4-dihydro-2H-chromen-3-yl-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 134022339
2-(2,4-dimethoxyanilino)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 109004267

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone?
The IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone (CID 22578171) is [4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone.
What is the SMILES notation for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone?
The canonical SMILES for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone is COc1ccc2c(c1)CC(C(=O)N1CCN(c3cccc(C)c3C)CC1)CO2.
What is the InChIKey of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone?
The InChIKey is BJHDFOAXKNHUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-16-5-4-6-21(17(16)2)24-9-11-25(12-10-24)23(26)19-13-18-14-20(27-3)7-8-22(18)28-15-19/h4-8,14,19H,9-13,15H2,1-3H3.
What are the key properties of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone?
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone has a molecular weight of 380.49 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone is sourced from PubChem (CID 22578171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).