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

C16H24ClN3O2 — CID 111507150

IUPAC3-[1-(2-chlorophenyl)piperidin-3-yl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)NC1CCCN(c2ccccc2Cl)C1
InChIInChI=1S/C16H24ClN3O2/c1-2-19(10-11-21)16(22)18-13-6-5-9-20(12-13)15-8-4-3-7-14(15)17/h3-4,7-8,13,21H,2,5-6,9-12H2,1H3,(H,18,22)
InChIKeyZXNVXNMBLDRSGN-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.33
Rot. Bonds5

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

3-[1-(2-chlorophenyl)piperidin-3-yl]-1-ethyl-1-(2-hydroxyethyl)urea (PubChem CID 111507150) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)piperidin-3-yl]-1-ethyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[1-(2-chlorophenyl)piperidin-3-yl]-1-ethyl-1-(2-hydroxyethyl)urea
PubChem CID111507150
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name3-[1-(2-chlorophenyl)piperidin-3-yl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)NC1CCCN(c2ccccc2Cl)C1
InChIInChI=1S/C16H24ClN3O2/c1-2-19(10-11-21)16(22)18-13-6-5-9-20(12-13)15-8-4-3-7-14(15)17/h3-4,7-8,13,21H,2,5-6,9-12H2,1H3,(H,18,22)
InChIKeyZXNVXNMBLDRSGN-UHFFFAOYSA-N
XLogP2.33
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.33
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-ethyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-[1-(2-chlorophenyl)piperidin-3-yl]-1-ethyl-1-(2-hydroxyethyl)urea (CID 111507150) is 3-[1-(2-chlorophenyl)piperidin-3-yl]-1-ethyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[1-(2-chlorophenyl)piperidin-3-yl]-1-ethyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-[1-(2-chlorophenyl)piperidin-3-yl]-1-ethyl-1-(2-hydroxyethyl)urea is CCN(CCO)C(=O)NC1CCCN(c2ccccc2Cl)C1.
What is the InChIKey of 3-[1-(2-chlorophenyl)piperidin-3-yl]-1-ethyl-1-(2-hydroxyethyl)urea?
The InChIKey is ZXNVXNMBLDRSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-2-19(10-11-21)16(22)18-13-6-5-9-20(12-13)15-8-4-3-7-14(15)17/h3-4,7-8,13,21H,2,5-6,9-12H2,1H3,(H,18,22).
What are the key properties of 3-[1-(2-chlorophenyl)piperidin-3-yl]-1-ethyl-1-(2-hydroxyethyl)urea?
3-[1-(2-chlorophenyl)piperidin-3-yl]-1-ethyl-1-(2-hydroxyethyl)urea has a molecular weight of 325.84 g/mol, XLogP of 2.33, 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-ethyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 111507150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).