[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanone

C21H25N3O3 — CID 70777886

IUPAC[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanone
SMILESCc1cc(N2CCN(C(=O)c3cc4c(cc3C)OCCO4)CC2)cc(C)n1
InChIInChI=1S/C21H25N3O3/c1-14-10-19-20(27-9-8-26-19)13-18(14)21(25)24-6-4-23(5-7-24)17-11-15(2)22-16(3)12-17/h10-13H,4-9H2,1-3H3
InChIKeyBQZUEBFDBQFZGE-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.74
Rot. Bonds2

About [4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanone

[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanone (PubChem CID 70777886) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is [4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanone.

Molecular Properties

Compound Name[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanone
PubChem CID70777886
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanone
SMILESCc1cc(N2CCN(C(=O)c3cc4c(cc3C)OCCO4)CC2)cc(C)n1
InChIInChI=1S/C21H25N3O3/c1-14-10-19-20(27-9-8-26-19)13-18(14)21(25)24-6-4-23(5-7-24)17-11-15(2)22-16(3)12-17/h10-13H,4-9H2,1-3H3
InChIKeyBQZUEBFDBQFZGE-UHFFFAOYSA-N
XLogP2.74
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 72869169
(4-chlorophenyl)-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]methanone
CID 110363916
5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 70716205
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]methanone
CID 10047852
[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 113079614
1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 70787649
(2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 18120424
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113112475
[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 27048956
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-diethylpiperazine-1-carboxamide
CID 110363934
[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 113079610
1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]-3-methylbutan-1-one
CID 110363875

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
The IUPAC name of [4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanone (CID 70777886) is [4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanone.
What is the SMILES notation for [4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
The canonical SMILES for [4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanone is Cc1cc(N2CCN(C(=O)c3cc4c(cc3C)OCCO4)CC2)cc(C)n1.
What is the InChIKey of [4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
The InChIKey is BQZUEBFDBQFZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-14-10-19-20(27-9-8-26-19)13-18(14)21(25)24-6-4-23(5-7-24)17-11-15(2)22-16(3)12-17/h10-13H,4-9H2,1-3H3.
What are the key properties of [4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanone has a molecular weight of 367.45 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanone is sourced from PubChem (CID 70777886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).