2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide

C19H29N3O3 — CID 51590240

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide
SMILESCC[C@H](CN1CCN(C)CC1)NC(=O)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H29N3O3/c1-3-16(14-22-8-6-21(2)7-9-22)20-19(23)13-15-4-5-17-18(12-15)25-11-10-24-17/h4-5,12,16H,3,6-11,13-14H2,1-2H3,(H,20,23)/t16-/m1/s1
InChIKeyZNFDJDFYHDTIPH-MRXNPFEDSA-N
MW347.46 g/mol
LogP1.14
Rot. Bonds6

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide (PubChem CID 51590240) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide
PubChem CID51590240
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide
SMILESCC[C@H](CN1CCN(C)CC1)NC(=O)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H29N3O3/c1-3-16(14-22-8-6-21(2)7-9-22)20-19(23)13-15-4-5-17-18(12-15)25-11-10-24-17/h4-5,12,16H,3,6-11,13-14H2,1-2H3,(H,20,23)/t16-/m1/s1
InChIKeyZNFDJDFYHDTIPH-MRXNPFEDSA-N
XLogP1.14
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-2-yl]propanamide
CID 70279089
2-(2,3-dihydro-1H-inden-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505108
2-(6-methyl-1-benzofuran-3-yl)-N-[1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide
CID 46966909
N-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-2-yl]octanamide
CID 70230572
2-(2-methoxy-5-methylphenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide
CID 51589916
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 18189844
N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-2-yl]-3-(4-methoxyphenoxy)propanamide
CID 70919237
2-(4-chlorophenoxy)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-2-yl]acetamide
CID 137419296
4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-[(4-methylpiperazin-1-yl)methyl]-4-oxobutanoic acid
CID 52996810
N-[1-[1-(1,3-benzodioxol-5-yl)propan-2-yl-methylamino]ethyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 166468594
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-pentan-3-ylacetamide
CID 7457789
N-[2-(diethylamino)propyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110620316

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide (CID 51590240) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide is CC[C@H](CN1CCN(C)CC1)NC(=O)Cc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide?
The InChIKey is ZNFDJDFYHDTIPH-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-3-16(14-22-8-6-21(2)7-9-22)20-19(23)13-15-4-5-17-18(12-15)25-11-10-24-17/h4-5,12,16H,3,6-11,13-14H2,1-2H3,(H,20,23)/t16-/m1/s1.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide has a molecular weight of 347.46 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide is sourced from PubChem (CID 51590240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).