4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one

C21H24N2O4 — CID 56900389

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
SMILESCOc1ccc(N2CCN(Cc3ccc4c(c3)OCCO4)C(C)C2=O)cc1
InChIInChI=1S/C21H24N2O4/c1-15-21(24)23(17-4-6-18(25-2)7-5-17)10-9-22(15)14-16-3-8-19-20(13-16)27-12-11-26-19/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyYKRYRQSOORKYDO-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.70
Rot. Bonds4

About 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one

4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one (PubChem CID 56900389) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
PubChem CID56900389
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
SMILESCOc1ccc(N2CCN(Cc3ccc4c(c3)OCCO4)C(C)C2=O)cc1
InChIInChI=1S/C21H24N2O4/c1-15-21(24)23(17-4-6-18(25-2)7-5-17)10-9-22(15)14-16-3-8-19-20(13-16)27-12-11-26-19/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyYKRYRQSOORKYDO-UHFFFAOYSA-N
XLogP2.70
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one with MolForge

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Related Compounds

(3S)-1-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
CID 93321187
(3S)-4-[[6-(dimethylamino)-3-pyridinyl]methyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 95729785
4-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 24716569
4-[(4-methoxyphenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one
CID 46035768
1-(2,3-dimethylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
CID 24716577
(3R)-1-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
CID 93292204
1-(4-methoxyphenyl)-3-methyl-4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-2-one
CID 70764690
(3R)-4-[(3-methoxyphenyl)methyl]-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 93322431
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazine
CID 45236118
methyl 4-[[4-(4-ethylphenyl)-2-methyl-3-oxopiperazin-1-yl]methyl]benzoate
CID 42847260
4-benzyl-1-(4-bromophenyl)-3-methylpiperazin-2-one
CID 46035819
4-[(4-methoxyphenyl)methyl]-5-methyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxylic acid
CID 122437935

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one (CID 56900389) is 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one is COc1ccc(N2CCN(Cc3ccc4c(c3)OCCO4)C(C)C2=O)cc1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one?
The InChIKey is YKRYRQSOORKYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-15-21(24)23(17-4-6-18(25-2)7-5-17)10-9-22(15)14-16-3-8-19-20(13-16)27-12-11-26-19/h3-8,13,15H,9-12,14H2,1-2H3.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one?
4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one has a molecular weight of 368.43 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 56900389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).