2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoylamino)piperidin-1-yl]acetamide

C17H24N4O4 — CID 51077514

IUPAC2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoylamino)piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NC(=O)NCc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C17H24N4O4/c18-16(22)11-21-5-3-13(4-6-21)20-17(23)19-10-12-1-2-14-15(9-12)25-8-7-24-14/h1-2,9,13H,3-8,10-11H2,(H2,18,22)(H2,19,20,23)
InChIKeyWVIVSVQVFCTANE-UHFFFAOYSA-N
MW348.40 g/mol
LogP0.21
Rot. Bonds5

About 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoylamino)piperidin-1-yl]acetamide

2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoylamino)piperidin-1-yl]acetamide (PubChem CID 51077514) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoylamino)piperidin-1-yl]acetamide
PubChem CID51077514
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoylamino)piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NC(=O)NCc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C17H24N4O4/c18-16(22)11-21-5-3-13(4-6-21)20-17(23)19-10-12-1-2-14-15(9-12)25-8-7-24-14/h1-2,9,13H,3-8,10-11H2,(H2,18,22)(H2,19,20,23)
InChIKeyWVIVSVQVFCTANE-UHFFFAOYSA-N
XLogP0.21
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]amino]piperidin-1-yl]acetamide
CID 51084112
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 122000432
1-(1,3-benzodioxol-5-ylmethyl)-3-(oxolan-3-yl)urea
CID 115755744
4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidine-1-carboxamide
CID 43766812
1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]urea
CID 127233403
N-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 1445053
N-(1-benzylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 9114216
N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 17392024
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(furan-3-ylmethyl)urea
CID 51083551
N-(1-cyclopropylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43051431
2-(azocan-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)acetamide
CID 91829779
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(2-hydroxyethyl)urea
CID 71894166

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoylamino)piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoylamino)piperidin-1-yl]acetamide (CID 51077514) is 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoylamino)piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoylamino)piperidin-1-yl]acetamide is NC(=O)CN1CCC(NC(=O)NCc2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoylamino)piperidin-1-yl]acetamide?
The InChIKey is WVIVSVQVFCTANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c18-16(22)11-21-5-3-13(4-6-21)20-17(23)19-10-12-1-2-14-15(9-12)25-8-7-24-14/h1-2,9,13H,3-8,10-11H2,(H2,18,22)(H2,19,20,23).
What are the key properties of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoylamino)piperidin-1-yl]acetamide?
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoylamino)piperidin-1-yl]acetamide has a molecular weight of 348.40 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 51077514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).