3-[1-(2-chlorophenyl)piperidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea

C17H24ClN3O2 — CID 111507151

IUPAC3-[1-(2-chlorophenyl)piperidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
SMILESO=C(NC1CCCN(c2ccccc2Cl)C1)N(CCO)C1CC1
InChIInChI=1S/C17H24ClN3O2/c18-15-5-1-2-6-16(15)20-9-3-4-13(12-20)19-17(23)21(10-11-22)14-7-8-14/h1-2,5-6,13-14,22H,3-4,7-12H2,(H,19,23)
InChIKeyHWROWYXKRUOUKJ-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.48
Rot. Bonds5

About 3-[1-(2-chlorophenyl)piperidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea

3-[1-(2-chlorophenyl)piperidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea (PubChem CID 111507151) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)piperidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[1-(2-chlorophenyl)piperidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
PubChem CID111507151
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name3-[1-(2-chlorophenyl)piperidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
SMILESO=C(NC1CCCN(c2ccccc2Cl)C1)N(CCO)C1CC1
InChIInChI=1S/C17H24ClN3O2/c18-15-5-1-2-6-16(15)20-9-3-4-13(12-20)19-17(23)21(10-11-22)14-7-8-14/h1-2,5-6,13-14,22H,3-4,7-12H2,(H,19,23)
InChIKeyHWROWYXKRUOUKJ-UHFFFAOYSA-N
XLogP2.48
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chlorophenyl)piperidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-[1-(2-chlorophenyl)piperidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea (CID 111507151) is 3-[1-(2-chlorophenyl)piperidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[1-(2-chlorophenyl)piperidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-[1-(2-chlorophenyl)piperidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea is O=C(NC1CCCN(c2ccccc2Cl)C1)N(CCO)C1CC1.
What is the InChIKey of 3-[1-(2-chlorophenyl)piperidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The InChIKey is HWROWYXKRUOUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c18-15-5-1-2-6-16(15)20-9-3-4-13(12-20)19-17(23)21(10-11-22)14-7-8-14/h1-2,5-6,13-14,22H,3-4,7-12H2,(H,19,23).
What are the key properties of 3-[1-(2-chlorophenyl)piperidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
3-[1-(2-chlorophenyl)piperidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea has a molecular weight of 337.85 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chlorophenyl)piperidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 111507151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).