1-(1-acetylpiperidin-4-yl)-3-(4-iodophenyl)urea

C14H18IN3O2 — CID 47193624

IUPAC1-(1-acetylpiperidin-4-yl)-3-(4-iodophenyl)urea
SMILESCC(=O)N1CCC(NC(=O)Nc2ccc(I)cc2)CC1
InChIInChI=1S/C14H18IN3O2/c1-10(19)18-8-6-13(7-9-18)17-14(20)16-12-4-2-11(15)3-5-12/h2-5,13H,6-9H2,1H3,(H2,16,17,20)
InChIKeyGRMVFNUZDYLLJP-UHFFFAOYSA-N
MW387.22 g/mol
LogP2.42
Rot. Bonds2

About 1-(1-acetylpiperidin-4-yl)-3-(4-iodophenyl)urea

1-(1-acetylpiperidin-4-yl)-3-(4-iodophenyl)urea (PubChem CID 47193624) has the molecular formula C14H18IN3O2 and a molecular weight of 387.22 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-(4-iodophenyl)urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-(4-iodophenyl)urea
PubChem CID47193624
Molecular FormulaC14H18IN3O2
Molecular Weight387.22 g/mol
Exact Mass387.04
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-(4-iodophenyl)urea
SMILESCC(=O)N1CCC(NC(=O)Nc2ccc(I)cc2)CC1
InChIInChI=1S/C14H18IN3O2/c1-10(19)18-8-6-13(7-9-18)17-14(20)16-12-4-2-11(15)3-5-12/h2-5,13H,6-9H2,1H3,(H2,16,17,20)
InChIKeyGRMVFNUZDYLLJP-UHFFFAOYSA-N
XLogP2.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.22
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(4-iodophenyl)-3-(1-methylpiperidin-4-yl)urea
CID 47133004
1-(1-acetylpiperidin-4-yl)-3-(4-methylsulfonylphenyl)urea
CID 25069812
1-(1-acetylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea
CID 110874676
1-(1-acetylpiperidin-4-yl)-3-(4-ethylsulfonylphenyl)urea
CID 69090436
1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea
CID 25070785
1-(1-acetylpiperidin-4-yl)-3-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]urea
CID 75403294
1-[4-(4-acetylpiperazin-1-yl)phenyl]-3-cyclohexylurea
CID 110369688
N-[1-(4-iodobenzoyl)piperidin-4-yl]acetamide
CID 49348956
1-(4-aminophenyl)-3-cyclopropylurea
CID 25324133
1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea
CID 17457458
1-(1-acetylpiperidin-4-yl)-3-(1-ethylpyrazol-4-yl)urea
CID 47200172
1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea
CID 119734443

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(4-iodophenyl)urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(4-iodophenyl)urea (CID 47193624) is 1-(1-acetylpiperidin-4-yl)-3-(4-iodophenyl)urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-(4-iodophenyl)urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-(4-iodophenyl)urea is CC(=O)N1CCC(NC(=O)Nc2ccc(I)cc2)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-(4-iodophenyl)urea?
The InChIKey is GRMVFNUZDYLLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18IN3O2/c1-10(19)18-8-6-13(7-9-18)17-14(20)16-12-4-2-11(15)3-5-12/h2-5,13H,6-9H2,1H3,(H2,16,17,20).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-(4-iodophenyl)urea?
1-(1-acetylpiperidin-4-yl)-3-(4-iodophenyl)urea has a molecular weight of 387.22 g/mol, XLogP of 2.42, 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-(4-iodophenyl)urea is sourced from PubChem (CID 47193624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).