1-ethyl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea

C14H23N3OS — CID 71787148

IUPAC1-ethyl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
SMILESCCNC(=O)NCCN1CCC(c2cccs2)CC1
InChIInChI=1S/C14H23N3OS/c1-2-15-14(18)16-7-10-17-8-5-12(6-9-17)13-4-3-11-19-13/h3-4,11-12H,2,5-10H2,1H3,(H2,15,16,18)
InChIKeySUMPLQXOELBRAW-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.25
Rot. Bonds5

About 1-ethyl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea

1-ethyl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea (PubChem CID 71787148) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is 1-ethyl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
PubChem CID71787148
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC Name1-ethyl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
SMILESCCNC(=O)NCCN1CCC(c2cccs2)CC1
InChIInChI=1S/C14H23N3OS/c1-2-15-14(18)16-7-10-17-8-5-12(6-9-17)13-4-3-11-19-13/h3-4,11-12H,2,5-10H2,1H3,(H2,15,16,18)
InChIKeySUMPLQXOELBRAW-UHFFFAOYSA-N
XLogP2.25
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-ethyl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea (CID 71787148) is 1-ethyl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-ethyl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-ethyl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea is CCNC(=O)NCCN1CCC(c2cccs2)CC1.
What is the InChIKey of 1-ethyl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea?
The InChIKey is SUMPLQXOELBRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-2-15-14(18)16-7-10-17-8-5-12(6-9-17)13-4-3-11-19-13/h3-4,11-12H,2,5-10H2,1H3,(H2,15,16,18).
What are the key properties of 1-ethyl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea?
1-ethyl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea has a molecular weight of 281.43 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 71787148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).