(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

C25H32N2O4 — CID 10455041

IUPAC(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC2)cc1
InChIInChI=1S/C25H32N2O4/c1-16-17(2)23-21(18(3)22(16)28)10-11-25(4,31-23)24(29)27-14-12-26(13-15-27)19-6-8-20(30-5)9-7-19/h6-9,28H,10-15H2,1-5H3
InChIKeyYLFXSJHWNOAAFB-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.76
Rot. Bonds3

About (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 10455041) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID10455041
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC2)cc1
InChIInChI=1S/C25H32N2O4/c1-16-17(2)23-21(18(3)22(16)28)10-11-25(4,31-23)24(29)27-14-12-26(13-15-27)19-6-8-20(30-5)9-7-19/h6-9,28H,10-15H2,1-5H3
InChIKeyYLFXSJHWNOAAFB-UHFFFAOYSA-N
XLogP3.76
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

CX-659S
CID 9869053
[4-(4-Chlorophenyl)piperazin-1-yl]-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanone
CID 10048250
(4-Benzylpiperazin-1-yl)(6-hydroxy-2,5,7,8-tetramethylchroman-2-yl)methanone
CID 10454151
2-[[4-(4-Methoxyphenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
CID 9978939
N-[2-[5-(dithiolan-3-yl)pentanoylamino]phenyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
CID 10029906
N-[2-[6,8-bis(sulfanyl)octanoylamino]phenyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
CID 11005957
2-[[4-(2-Methoxyphenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol;hydrate;hydrochloride
CID 49860847
(13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]butyl]carbamate
CID 166631995
(13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl) N-[6-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]hexyl]carbamate
CID 166635430
N-(4-aminophenyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
CID 10947808
2-{[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl}-6,7-dimethyl-4H-chromen-4-one
CID 4900750
2-{[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl}-7-methyl-4H-chromen-4-one
CID 4971121

Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 10455041) is (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc(N2CCN(C(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC2)cc1.
What is the InChIKey of (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is YLFXSJHWNOAAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-16-17(2)23-21(18(3)22(16)28)10-11-25(4,31-23)24(29)27-14-12-26(13-15-27)19-6-8-20(30-5)9-7-19/h6-9,28H,10-15H2,1-5H3.
What are the key properties of (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 424.54 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 10455041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).