1-(4-chlorophenyl)-3-[1-(oxan-4-yl)piperidin-4-yl]urea

C17H24ClN3O2 — CID 94862524

IUPAC1-(4-chlorophenyl)-3-[1-(oxan-4-yl)piperidin-4-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C17H24ClN3O2/c18-13-1-3-14(4-2-13)19-17(22)20-15-5-9-21(10-6-15)16-7-11-23-12-8-16/h1-4,15-16H,5-12H2,(H2,19,20,22)
InChIKeyJLMGPSSQEAYSOT-UHFFFAOYSA-N
MW337.85 g/mol
LogP3.10
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[1-(oxan-4-yl)piperidin-4-yl]urea

1-(4-chlorophenyl)-3-[1-(oxan-4-yl)piperidin-4-yl]urea (PubChem CID 94862524) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[1-(oxan-4-yl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[1-(oxan-4-yl)piperidin-4-yl]urea
PubChem CID94862524
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name1-(4-chlorophenyl)-3-[1-(oxan-4-yl)piperidin-4-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C17H24ClN3O2/c18-13-1-3-14(4-2-13)19-17(22)20-15-5-9-21(10-6-15)16-7-11-23-12-8-16/h1-4,15-16H,5-12H2,(H2,19,20,22)
InChIKeyJLMGPSSQEAYSOT-UHFFFAOYSA-N
XLogP3.10
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]acetamide
CID 126834660
1-[1-(oxolan-3-yl)piperidin-4-yl]-3-phenylurea
CID 71855491
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea
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1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea
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1-(4-chlorophenyl)-3-cyclododecylurea
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CID 126834663
1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049584
1-(1-acetylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea
CID 110874676
1-(4-chlorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597812
1-(4-chlorophenyl)-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea
CID 110874683
1-(4-chlorophenyl)-3-piperidin-4-ylurea;hydrochloride
CID 53255615
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CID 86986878

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[1-(oxan-4-yl)piperidin-4-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[1-(oxan-4-yl)piperidin-4-yl]urea (CID 94862524) is 1-(4-chlorophenyl)-3-[1-(oxan-4-yl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[1-(oxan-4-yl)piperidin-4-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[1-(oxan-4-yl)piperidin-4-yl]urea is O=C(Nc1ccc(Cl)cc1)NC1CCN(C2CCOCC2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[1-(oxan-4-yl)piperidin-4-yl]urea?
The InChIKey is JLMGPSSQEAYSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c18-13-1-3-14(4-2-13)19-17(22)20-15-5-9-21(10-6-15)16-7-11-23-12-8-16/h1-4,15-16H,5-12H2,(H2,19,20,22).
What are the key properties of 1-(4-chlorophenyl)-3-[1-(oxan-4-yl)piperidin-4-yl]urea?
1-(4-chlorophenyl)-3-[1-(oxan-4-yl)piperidin-4-yl]urea has a molecular weight of 337.85 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[1-(oxan-4-yl)piperidin-4-yl]urea is sourced from PubChem (CID 94862524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).