1-(1-cyclopropylpiperidin-4-yl)-3-dibenzofuran-3-ylurea

C21H23N3O2 — CID 71941296

IUPAC1-(1-cyclopropylpiperidin-4-yl)-3-dibenzofuran-3-ylurea
SMILESO=C(Nc1ccc2c(c1)oc1ccccc12)NC1CCN(C2CC2)CC1
InChIInChI=1S/C21H23N3O2/c25-21(22-14-9-11-24(12-10-14)16-6-7-16)23-15-5-8-18-17-3-1-2-4-19(17)26-20(18)13-15/h1-5,8,13-14,16H,6-7,9-12H2,(H2,22,23,25)
InChIKeyFRSDJUVWHIDLEU-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.33
Rot. Bonds3

About 1-(1-cyclopropylpiperidin-4-yl)-3-dibenzofuran-3-ylurea

1-(1-cyclopropylpiperidin-4-yl)-3-dibenzofuran-3-ylurea (PubChem CID 71941296) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-(1-cyclopropylpiperidin-4-yl)-3-dibenzofuran-3-ylurea.

Molecular Properties

Compound Name1-(1-cyclopropylpiperidin-4-yl)-3-dibenzofuran-3-ylurea
PubChem CID71941296
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-(1-cyclopropylpiperidin-4-yl)-3-dibenzofuran-3-ylurea
SMILESO=C(Nc1ccc2c(c1)oc1ccccc12)NC1CCN(C2CC2)CC1
InChIInChI=1S/C21H23N3O2/c25-21(22-14-9-11-24(12-10-14)16-6-7-16)23-15-5-8-18-17-3-1-2-4-19(17)26-20(18)13-15/h1-5,8,13-14,16H,6-7,9-12H2,(H2,22,23,25)
InChIKeyFRSDJUVWHIDLEU-UHFFFAOYSA-N
XLogP4.33
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea
CID 17457458
1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea
CID 47816038
(2R)-N-dibenzofuran-3-yloxolane-2-carboxamide
CID 7269123
N-(4-methyl-2-oxochromen-7-yl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide
CID 47076615
1-[1-(oxolan-3-yl)piperidin-4-yl]-3-phenylurea
CID 71855491
1-(4-chlorophenyl)-3-[1-(oxan-4-yl)piperidin-4-yl]urea
CID 94862524
1-(1-cyclopropylpiperidin-4-yl)-3-(2,6-difluorophenyl)urea
CID 86986878
1-(1-cyclopentylpiperidin-4-yl)-3-(3-methylsulfinylphenyl)urea
CID 71978939
1-(4-fluoro-3-methylphenyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
CID 99581606
1-(1-cyclopropylpiperidin-4-yl)-3-[4-(ethylsulfonylamino)-3-methoxyphenyl]urea
CID 48761938
1-(1-cyclopropylpiperidin-4-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 86988645
(1R,6R)-6-(dibenzofuran-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 806478

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-3-dibenzofuran-3-ylurea?
The IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-3-dibenzofuran-3-ylurea (CID 71941296) is 1-(1-cyclopropylpiperidin-4-yl)-3-dibenzofuran-3-ylurea.
What is the SMILES notation for 1-(1-cyclopropylpiperidin-4-yl)-3-dibenzofuran-3-ylurea?
The canonical SMILES for 1-(1-cyclopropylpiperidin-4-yl)-3-dibenzofuran-3-ylurea is O=C(Nc1ccc2c(c1)oc1ccccc12)NC1CCN(C2CC2)CC1.
What is the InChIKey of 1-(1-cyclopropylpiperidin-4-yl)-3-dibenzofuran-3-ylurea?
The InChIKey is FRSDJUVWHIDLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-21(22-14-9-11-24(12-10-14)16-6-7-16)23-15-5-8-18-17-3-1-2-4-19(17)26-20(18)13-15/h1-5,8,13-14,16H,6-7,9-12H2,(H2,22,23,25).
What are the key properties of 1-(1-cyclopropylpiperidin-4-yl)-3-dibenzofuran-3-ylurea?
1-(1-cyclopropylpiperidin-4-yl)-3-dibenzofuran-3-ylurea has a molecular weight of 349.43 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpiperidin-4-yl)-3-dibenzofuran-3-ylurea is sourced from PubChem (CID 71941296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).