1-phenyl-3-(1-propanoylpiperidin-4-yl)urea

C15H21N3O2 — CID 47379737

IUPAC1-phenyl-3-(1-propanoylpiperidin-4-yl)urea
SMILESCCC(=O)N1CCC(NC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C15H21N3O2/c1-2-14(19)18-10-8-13(9-11-18)17-15(20)16-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H2,16,17,20)
InChIKeyXOEKGIBLQVJFBB-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.21
Rot. Bonds3

About 1-phenyl-3-(1-propanoylpiperidin-4-yl)urea

1-phenyl-3-(1-propanoylpiperidin-4-yl)urea (PubChem CID 47379737) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-phenyl-3-(1-propanoylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-phenyl-3-(1-propanoylpiperidin-4-yl)urea
PubChem CID47379737
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-phenyl-3-(1-propanoylpiperidin-4-yl)urea
SMILESCCC(=O)N1CCC(NC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C15H21N3O2/c1-2-14(19)18-10-8-13(9-11-18)17-15(20)16-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H2,16,17,20)
InChIKeyXOEKGIBLQVJFBB-UHFFFAOYSA-N
XLogP2.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(1-propanoylpiperidin-4-yl)urea?
The IUPAC name of 1-phenyl-3-(1-propanoylpiperidin-4-yl)urea (CID 47379737) is 1-phenyl-3-(1-propanoylpiperidin-4-yl)urea.
What is the SMILES notation for 1-phenyl-3-(1-propanoylpiperidin-4-yl)urea?
The canonical SMILES for 1-phenyl-3-(1-propanoylpiperidin-4-yl)urea is CCC(=O)N1CCC(NC(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-phenyl-3-(1-propanoylpiperidin-4-yl)urea?
The InChIKey is XOEKGIBLQVJFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-14(19)18-10-8-13(9-11-18)17-15(20)16-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H2,16,17,20).
What are the key properties of 1-phenyl-3-(1-propanoylpiperidin-4-yl)urea?
1-phenyl-3-(1-propanoylpiperidin-4-yl)urea has a molecular weight of 275.35 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(1-propanoylpiperidin-4-yl)urea is sourced from PubChem (CID 47379737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).