1-(1-acetylpiperidin-4-yl)-3-cycloheptylurea

C15H27N3O2 — CID 25073288

IUPAC1-(1-acetylpiperidin-4-yl)-3-cycloheptylurea
SMILESCC(=O)N1CCC(NC(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C15H27N3O2/c1-12(19)18-10-8-14(9-11-18)17-15(20)16-13-6-4-2-3-5-7-13/h13-14H,2-11H2,1H3,(H2,16,17,20)
InChIKeyLTDFSPICBQXVRT-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.02
Rot. Bonds2

About 1-(1-acetylpiperidin-4-yl)-3-cycloheptylurea

1-(1-acetylpiperidin-4-yl)-3-cycloheptylurea (PubChem CID 25073288) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-cycloheptylurea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-cycloheptylurea
PubChem CID25073288
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-cycloheptylurea
SMILESCC(=O)N1CCC(NC(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C15H27N3O2/c1-12(19)18-10-8-14(9-11-18)17-15(20)16-13-6-4-2-3-5-7-13/h13-14H,2-11H2,1H3,(H2,16,17,20)
InChIKeyLTDFSPICBQXVRT-UHFFFAOYSA-N
XLogP2.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-cycloheptylurea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-cycloheptylurea (CID 25073288) is 1-(1-acetylpiperidin-4-yl)-3-cycloheptylurea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-cycloheptylurea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-cycloheptylurea is CC(=O)N1CCC(NC(=O)NC2CCCCCC2)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-cycloheptylurea?
The InChIKey is LTDFSPICBQXVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-12(19)18-10-8-14(9-11-18)17-15(20)16-13-6-4-2-3-5-7-13/h13-14H,2-11H2,1H3,(H2,16,17,20).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-cycloheptylurea?
1-(1-acetylpiperidin-4-yl)-3-cycloheptylurea has a molecular weight of 281.40 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-cycloheptylurea is sourced from PubChem (CID 25073288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).