1-(1,3-benzodioxol-5-yl)-3-(2-piperidin-1-ylethyl)urea

C15H21N3O3 — CID 6470232

IUPAC1-(1,3-benzodioxol-5-yl)-3-(2-piperidin-1-ylethyl)urea
SMILESO=C(NCCN1CCCCC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H21N3O3/c19-15(16-6-9-18-7-2-1-3-8-18)17-12-4-5-13-14(10-12)21-11-20-13/h4-5,10H,1-3,6-9,11H2,(H2,16,17,19)
InChIKeyXBIMAVDSTKEHHJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.02
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-3-(2-piperidin-1-ylethyl)urea

1-(1,3-benzodioxol-5-yl)-3-(2-piperidin-1-ylethyl)urea (PubChem CID 6470232) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-(2-piperidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-(2-piperidin-1-ylethyl)urea
PubChem CID6470232
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-(2-piperidin-1-ylethyl)urea
SMILESO=C(NCCN1CCCCC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H21N3O3/c19-15(16-6-9-18-7-2-1-3-8-18)17-12-4-5-13-14(10-12)21-11-20-13/h4-5,10H,1-3,6-9,11H2,(H2,16,17,19)
InChIKeyXBIMAVDSTKEHHJ-UHFFFAOYSA-N
XLogP2.02
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-[2-(4-propylpiperazin-1-yl)ethyl]urea
CID 23609356
1-(1,3-benzodioxol-5-yl)-3-(3-pyrrolidin-1-ylpropyl)thiourea
CID 100630376
1-(1,3-benzodioxol-5-yl)-3-propylurea
CID 58748931
1-(1,3-benzodioxol-5-yl)-3-(3-oxobutyl)urea
CID 108895209
N,N,2-trimethyl-4-(2-piperidin-1-ylethylcarbamoylamino)benzamide
CID 71874325
1-(1,3-benzodioxol-5-yl)-3-hexylurea
CID 4107112
1-(4-aminophenyl)-3-(2-pyrrolidin-1-ylethyl)urea
CID 55097980
1-(4-acetylphenyl)-3-(2-piperidin-1-ylethyl)urea
CID 60797109
1-(1,3-benzodioxol-5-yl)-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea
CID 121139470
1-(1,3-benzodioxol-5-yl)-3-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]urea
CID 72881182
1-(1,3-benzodioxol-5-yl)-3-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 121074987
1-(1,3-benzodioxol-5-yl)-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea
CID 71808368

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(2-piperidin-1-ylethyl)urea?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(2-piperidin-1-ylethyl)urea (CID 6470232) is 1-(1,3-benzodioxol-5-yl)-3-(2-piperidin-1-ylethyl)urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-(2-piperidin-1-ylethyl)urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-(2-piperidin-1-ylethyl)urea is O=C(NCCN1CCCCC1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-(2-piperidin-1-ylethyl)urea?
The InChIKey is XBIMAVDSTKEHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-15(16-6-9-18-7-2-1-3-8-18)17-12-4-5-13-14(10-12)21-11-20-13/h4-5,10H,1-3,6-9,11H2,(H2,16,17,19).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-(2-piperidin-1-ylethyl)urea?
1-(1,3-benzodioxol-5-yl)-3-(2-piperidin-1-ylethyl)urea has a molecular weight of 291.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-3-(2-piperidin-1-ylethyl)urea is sourced from PubChem (CID 6470232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).