1-phenyl-3-(2-piperidin-1-ylethyl)urea

C14H21N3O — CID 1247194

IUPAC1-phenyl-3-(2-piperidin-1-ylethyl)urea
SMILESO=C(NCCN1CCCCC1)Nc1ccccc1
InChIInChI=1S/C14H21N3O/c18-14(16-13-7-3-1-4-8-13)15-9-12-17-10-5-2-6-11-17/h1,3-4,7-8H,2,5-6,9-12H2,(H2,15,16,18)
InChIKeyARCOGMGDIRXCFO-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.29
Rot. Bonds4

About 1-phenyl-3-(2-piperidin-1-ylethyl)urea

1-phenyl-3-(2-piperidin-1-ylethyl)urea (PubChem CID 1247194) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-phenyl-3-(2-piperidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-phenyl-3-(2-piperidin-1-ylethyl)urea
PubChem CID1247194
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-phenyl-3-(2-piperidin-1-ylethyl)urea
SMILESO=C(NCCN1CCCCC1)Nc1ccccc1
InChIInChI=1S/C14H21N3O/c18-14(16-13-7-3-1-4-8-13)15-9-12-17-10-5-2-6-11-17/h1,3-4,7-8H,2,5-6,9-12H2,(H2,15,16,18)
InChIKeyARCOGMGDIRXCFO-UHFFFAOYSA-N
XLogP2.29
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(2-piperidin-1-ylethyl)urea?
The IUPAC name of 1-phenyl-3-(2-piperidin-1-ylethyl)urea (CID 1247194) is 1-phenyl-3-(2-piperidin-1-ylethyl)urea.
What is the SMILES notation for 1-phenyl-3-(2-piperidin-1-ylethyl)urea?
The canonical SMILES for 1-phenyl-3-(2-piperidin-1-ylethyl)urea is O=C(NCCN1CCCCC1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-(2-piperidin-1-ylethyl)urea?
The InChIKey is ARCOGMGDIRXCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c18-14(16-13-7-3-1-4-8-13)15-9-12-17-10-5-2-6-11-17/h1,3-4,7-8H,2,5-6,9-12H2,(H2,15,16,18).
What are the key properties of 1-phenyl-3-(2-piperidin-1-ylethyl)urea?
1-phenyl-3-(2-piperidin-1-ylethyl)urea has a molecular weight of 247.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(2-piperidin-1-ylethyl)urea is sourced from PubChem (CID 1247194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).