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

C14H25N3O2 — CID 25070135

IUPAC1-(1-acetylpiperidin-4-yl)-3-cyclohexylurea
SMILESCC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C14H25N3O2/c1-11(18)17-9-7-13(8-10-17)16-14(19)15-12-5-3-2-4-6-12/h12-13H,2-10H2,1H3,(H2,15,16,19)
InChIKeyGCAZYKYHOMQSFM-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.63
Rot. Bonds2

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

1-(1-acetylpiperidin-4-yl)-3-cyclohexylurea (PubChem CID 25070135) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-cyclohexylurea
PubChem CID25070135
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-cyclohexylurea
SMILESCC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C14H25N3O2/c1-11(18)17-9-7-13(8-10-17)16-14(19)15-12-5-3-2-4-6-12/h12-13H,2-10H2,1H3,(H2,15,16,19)
InChIKeyGCAZYKYHOMQSFM-UHFFFAOYSA-N
XLogP1.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.63
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-cyclohexylurea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-cyclohexylurea (CID 25070135) is 1-(1-acetylpiperidin-4-yl)-3-cyclohexylurea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-cyclohexylurea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-cyclohexylurea is CC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-cyclohexylurea?
The InChIKey is GCAZYKYHOMQSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11(18)17-9-7-13(8-10-17)16-14(19)15-12-5-3-2-4-6-12/h12-13H,2-10H2,1H3,(H2,15,16,19).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-cyclohexylurea?
1-(1-acetylpiperidin-4-yl)-3-cyclohexylurea has a molecular weight of 267.37 g/mol, XLogP of 1.63, 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-cyclohexylurea is sourced from PubChem (CID 25070135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).