1-[1-(oxolan-3-yl)piperidin-4-yl]-3-phenylurea

C16H23N3O2 — CID 71855491

IUPAC1-[1-(oxolan-3-yl)piperidin-4-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1CCN(C2CCOC2)CC1
InChIInChI=1S/C16H23N3O2/c20-16(17-13-4-2-1-3-5-13)18-14-6-9-19(10-7-14)15-8-11-21-12-15/h1-5,14-15H,6-12H2,(H2,17,18,20)
InChIKeyAALZRVKAJFGYOE-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.06
Rot. Bonds3

About 1-[1-(oxolan-3-yl)piperidin-4-yl]-3-phenylurea

1-[1-(oxolan-3-yl)piperidin-4-yl]-3-phenylurea (PubChem CID 71855491) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[1-(oxolan-3-yl)piperidin-4-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[1-(oxolan-3-yl)piperidin-4-yl]-3-phenylurea
PubChem CID71855491
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[1-(oxolan-3-yl)piperidin-4-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1CCN(C2CCOC2)CC1
InChIInChI=1S/C16H23N3O2/c20-16(17-13-4-2-1-3-5-13)18-14-6-9-19(10-7-14)15-8-11-21-12-15/h1-5,14-15H,6-12H2,(H2,17,18,20)
InChIKeyAALZRVKAJFGYOE-UHFFFAOYSA-N
XLogP2.06
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[1-(oxan-4-yl)piperidin-4-yl]urea
CID 94862524
1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea
CID 47816038
1-(1-methanidylpiperidin-4-yl)-3-phenylurea;yttrium
CID 59803141
1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea
CID 17457458
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea
CID 110621034
2-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083323
5-N-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 71850043
2-(2-tert-butylphenoxy)-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]acetamide
CID 96542515
1-(1-methylazetidin-3-yl)-3-phenylurea
CID 70794092
1-(4-tert-butylphenyl)-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea
CID 119104088
1-(azetidin-3-yl)-3-phenylurea
CID 66185847
1-(1-cyclopropylpiperidin-4-yl)-3-dibenzofuran-3-ylurea
CID 71941296

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolan-3-yl)piperidin-4-yl]-3-phenylurea?
The IUPAC name of 1-[1-(oxolan-3-yl)piperidin-4-yl]-3-phenylurea (CID 71855491) is 1-[1-(oxolan-3-yl)piperidin-4-yl]-3-phenylurea.
What is the SMILES notation for 1-[1-(oxolan-3-yl)piperidin-4-yl]-3-phenylurea?
The canonical SMILES for 1-[1-(oxolan-3-yl)piperidin-4-yl]-3-phenylurea is O=C(Nc1ccccc1)NC1CCN(C2CCOC2)CC1.
What is the InChIKey of 1-[1-(oxolan-3-yl)piperidin-4-yl]-3-phenylurea?
The InChIKey is AALZRVKAJFGYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-16(17-13-4-2-1-3-5-13)18-14-6-9-19(10-7-14)15-8-11-21-12-15/h1-5,14-15H,6-12H2,(H2,17,18,20).
What are the key properties of 1-[1-(oxolan-3-yl)piperidin-4-yl]-3-phenylurea?
1-[1-(oxolan-3-yl)piperidin-4-yl]-3-phenylurea has a molecular weight of 289.38 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolan-3-yl)piperidin-4-yl]-3-phenylurea is sourced from PubChem (CID 71855491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).