2-[4-[[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]amino]piperidin-1-yl]acetamide

C17H24N4O4 — CID 51084112

IUPAC2-[4-[[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]amino]piperidin-1-yl]acetamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C17H24N4O4/c1-20(9-12-2-3-14-15(8-12)25-11-24-14)17(23)19-13-4-6-21(7-5-13)10-16(18)22/h2-3,8,13H,4-7,9-11H2,1H3,(H2,18,22)(H,19,23)
InChIKeyFRFGAPITUIEQNH-UHFFFAOYSA-N
MW348.40 g/mol
LogP0.51
Rot. Bonds5

About 2-[4-[[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]amino]piperidin-1-yl]acetamide

2-[4-[[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]amino]piperidin-1-yl]acetamide (PubChem CID 51084112) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[4-[[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]amino]piperidin-1-yl]acetamide
PubChem CID51084112
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name2-[4-[[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]amino]piperidin-1-yl]acetamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C17H24N4O4/c1-20(9-12-2-3-14-15(8-12)25-11-24-14)17(23)19-13-4-6-21(7-5-13)10-16(18)22/h2-3,8,13H,4-7,9-11H2,1H3,(H2,18,22)(H,19,23)
InChIKeyFRFGAPITUIEQNH-UHFFFAOYSA-N
XLogP0.51
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-methylurea
CID 49136959
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoylamino)piperidin-1-yl]acetamide
CID 51077514
1-(1,3-benzodioxol-5-ylmethyl)-3-[(1-benzylpiperidin-4-yl)methyl]-1-methylurea
CID 47873977
2-(1,3-benzodioxol-5-yl)-N-(1-propylpiperidin-4-yl)acetamide
CID 86822757
N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60655395
1-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3-[(3R)-2-oxoazepan-3-yl]urea
CID 94030634
1-(1,3-benzodioxol-5-ylmethyl)-3-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-1-methylurea
CID 97022247
1-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 32544635
1-[(4-aminophenyl)methyl]-3-cyclopropyl-1-methylurea
CID 62699468
1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-fluorophenyl)methyl]-1-methylurea
CID 38162398
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55712469
2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]-N-cyclopropylacetamide
CID 16668006

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]amino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]amino]piperidin-1-yl]acetamide (CID 51084112) is 2-[4-[[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]amino]piperidin-1-yl]acetamide is CN(Cc1ccc2c(c1)OCO2)C(=O)NC1CCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-[[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]amino]piperidin-1-yl]acetamide?
The InChIKey is FRFGAPITUIEQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-20(9-12-2-3-14-15(8-12)25-11-24-14)17(23)19-13-4-6-21(7-5-13)10-16(18)22/h2-3,8,13H,4-7,9-11H2,1H3,(H2,18,22)(H,19,23).
What are the key properties of 2-[4-[[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]amino]piperidin-1-yl]acetamide?
2-[4-[[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]amino]piperidin-1-yl]acetamide has a molecular weight of 348.40 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 51084112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).