N-benzyl-2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]piperazin-1-yl]acetamide

C24H29N3O4 — CID 16603881

IUPACN-benzyl-2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)CCc2ccc3c(c2)OCCO3)CC1)NCc1ccccc1
InChIInChI=1S/C24H29N3O4/c28-23(25-17-20-4-2-1-3-5-20)18-26-10-12-27(13-11-26)24(29)9-7-19-6-8-21-22(16-19)31-15-14-30-21/h1-6,8,16H,7,9-15,17-18H2,(H,25,28)
InChIKeyJIYNMTYYLNPHNV-UHFFFAOYSA-N
MW423.51 g/mol
LogP1.85
Rot. Bonds7

About N-benzyl-2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]piperazin-1-yl]acetamide

N-benzyl-2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]piperazin-1-yl]acetamide (PubChem CID 16603881) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-benzyl-2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]piperazin-1-yl]acetamide
PubChem CID16603881
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-benzyl-2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)CCc2ccc3c(c2)OCCO3)CC1)NCc1ccccc1
InChIInChI=1S/C24H29N3O4/c28-23(25-17-20-4-2-1-3-5-20)18-26-10-12-27(13-11-26)24(29)9-7-19-6-8-21-22(16-19)31-15-14-30-21/h1-6,8,16H,7,9-15,17-18H2,(H,25,28)
InChIKeyJIYNMTYYLNPHNV-UHFFFAOYSA-N
XLogP1.85
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-benzylpiperazin-1-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one
CID 17496921
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 19009076
2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-N-benzylacetamide
CID 17441066
N-benzyl-2-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 55494077
N-benzyl-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 110368764
3-(1,3-benzodioxol-5-yl)-1-(4-benzyl-1,4-diazepan-1-yl)propan-1-one
CID 30469965
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]propan-1-one
CID 86945383
2-(azocan-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)acetamide
CID 91829779
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-phenacylpiperazin-1-yl)acetamide
CID 11429359
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31949495
2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-benzylacetamide
CID 119840154
1-[4-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 110368853

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]piperazin-1-yl]acetamide (CID 16603881) is N-benzyl-2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)CCc2ccc3c(c2)OCCO3)CC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]piperazin-1-yl]acetamide?
The InChIKey is JIYNMTYYLNPHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c28-23(25-17-20-4-2-1-3-5-20)18-26-10-12-27(13-11-26)24(29)9-7-19-6-8-21-22(16-19)31-15-14-30-21/h1-6,8,16H,7,9-15,17-18H2,(H,25,28).
What are the key properties of N-benzyl-2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]piperazin-1-yl]acetamide?
N-benzyl-2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]piperazin-1-yl]acetamide has a molecular weight of 423.51 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 16603881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).