1-(4-chlorophenyl)-3-(2-piperidin-1-ylethyl)urea

C14H20ClN3O — CID 4189678

IUPAC1-(4-chlorophenyl)-3-(2-piperidin-1-ylethyl)urea
SMILESO=C(NCCN1CCCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3O/c15-12-4-6-13(7-5-12)17-14(19)16-8-11-18-9-2-1-3-10-18/h4-7H,1-3,8-11H2,(H2,16,17,19)
InChIKeyRKOIPCNLDUQOEU-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.95
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(2-piperidin-1-ylethyl)urea

1-(4-chlorophenyl)-3-(2-piperidin-1-ylethyl)urea (PubChem CID 4189678) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-piperidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-piperidin-1-ylethyl)urea
PubChem CID4189678
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name1-(4-chlorophenyl)-3-(2-piperidin-1-ylethyl)urea
SMILESO=C(NCCN1CCCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3O/c15-12-4-6-13(7-5-12)17-14(19)16-8-11-18-9-2-1-3-10-18/h4-7H,1-3,8-11H2,(H2,16,17,19)
InChIKeyRKOIPCNLDUQOEU-UHFFFAOYSA-N
XLogP2.95
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-piperidin-1-ylethyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-piperidin-1-ylethyl)urea (CID 4189678) is 1-(4-chlorophenyl)-3-(2-piperidin-1-ylethyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-piperidin-1-ylethyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-piperidin-1-ylethyl)urea is O=C(NCCN1CCCCC1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-piperidin-1-ylethyl)urea?
The InChIKey is RKOIPCNLDUQOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c15-12-4-6-13(7-5-12)17-14(19)16-8-11-18-9-2-1-3-10-18/h4-7H,1-3,8-11H2,(H2,16,17,19).
What are the key properties of 1-(4-chlorophenyl)-3-(2-piperidin-1-ylethyl)urea?
1-(4-chlorophenyl)-3-(2-piperidin-1-ylethyl)urea has a molecular weight of 281.79 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2-piperidin-1-ylethyl)urea is sourced from PubChem (CID 4189678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).