1-[(1-acetylpiperidin-4-yl)methyl]-3-(5-methylthiophen-2-yl)urea

C14H21N3O2S — CID 75494396

IUPAC1-[(1-acetylpiperidin-4-yl)methyl]-3-(5-methylthiophen-2-yl)urea
SMILESCC(=O)N1CCC(CNC(=O)Nc2ccc(C)s2)CC1
InChIInChI=1S/C14H21N3O2S/c1-10-3-4-13(20-10)16-14(19)15-9-12-5-7-17(8-6-12)11(2)18/h3-4,12H,5-9H2,1-2H3,(H2,15,16,19)
InChIKeyFJODMGHUXAUWQA-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.44
Rot. Bonds3

About 1-[(1-acetylpiperidin-4-yl)methyl]-3-(5-methylthiophen-2-yl)urea

1-[(1-acetylpiperidin-4-yl)methyl]-3-(5-methylthiophen-2-yl)urea (PubChem CID 75494396) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-[(1-acetylpiperidin-4-yl)methyl]-3-(5-methylthiophen-2-yl)urea.

Molecular Properties

Compound Name1-[(1-acetylpiperidin-4-yl)methyl]-3-(5-methylthiophen-2-yl)urea
PubChem CID75494396
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name1-[(1-acetylpiperidin-4-yl)methyl]-3-(5-methylthiophen-2-yl)urea
SMILESCC(=O)N1CCC(CNC(=O)Nc2ccc(C)s2)CC1
InChIInChI=1S/C14H21N3O2S/c1-10-3-4-13(20-10)16-14(19)15-9-12-5-7-17(8-6-12)11(2)18/h3-4,12H,5-9H2,1-2H3,(H2,15,16,19)
InChIKeyFJODMGHUXAUWQA-UHFFFAOYSA-N
XLogP2.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-acetylpiperidin-4-yl)methyl]-3-(5-methylthiophen-2-yl)urea?
The IUPAC name of 1-[(1-acetylpiperidin-4-yl)methyl]-3-(5-methylthiophen-2-yl)urea (CID 75494396) is 1-[(1-acetylpiperidin-4-yl)methyl]-3-(5-methylthiophen-2-yl)urea.
What is the SMILES notation for 1-[(1-acetylpiperidin-4-yl)methyl]-3-(5-methylthiophen-2-yl)urea?
The canonical SMILES for 1-[(1-acetylpiperidin-4-yl)methyl]-3-(5-methylthiophen-2-yl)urea is CC(=O)N1CCC(CNC(=O)Nc2ccc(C)s2)CC1.
What is the InChIKey of 1-[(1-acetylpiperidin-4-yl)methyl]-3-(5-methylthiophen-2-yl)urea?
The InChIKey is FJODMGHUXAUWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-10-3-4-13(20-10)16-14(19)15-9-12-5-7-17(8-6-12)11(2)18/h3-4,12H,5-9H2,1-2H3,(H2,15,16,19).
What are the key properties of 1-[(1-acetylpiperidin-4-yl)methyl]-3-(5-methylthiophen-2-yl)urea?
1-[(1-acetylpiperidin-4-yl)methyl]-3-(5-methylthiophen-2-yl)urea has a molecular weight of 295.41 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-acetylpiperidin-4-yl)methyl]-3-(5-methylthiophen-2-yl)urea is sourced from PubChem (CID 75494396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).