1-(1-cyclopentylpiperidin-4-yl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea

C17H28N4OS — CID 71862982

IUPAC1-(1-cyclopentylpiperidin-4-yl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea
SMILESCCc1cnc(CNC(=O)NC2CCN(C3CCCC3)CC2)s1
InChIInChI=1S/C17H28N4OS/c1-2-15-11-18-16(23-15)12-19-17(22)20-13-7-9-21(10-8-13)14-5-3-4-6-14/h11,13-14H,2-10,12H2,1H3,(H2,19,20,22)
InChIKeyHELWFUZZWVCANC-UHFFFAOYSA-N
MW336.51 g/mol
LogP2.91
Rot. Bonds5

About 1-(1-cyclopentylpiperidin-4-yl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea

1-(1-cyclopentylpiperidin-4-yl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea (PubChem CID 71862982) has the molecular formula C17H28N4OS and a molecular weight of 336.51 g/mol. Its IUPAC name is 1-(1-cyclopentylpiperidin-4-yl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(1-cyclopentylpiperidin-4-yl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea
PubChem CID71862982
Molecular FormulaC17H28N4OS
Molecular Weight336.51 g/mol
Exact Mass336.20
IUPAC Name1-(1-cyclopentylpiperidin-4-yl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea
SMILESCCc1cnc(CNC(=O)NC2CCN(C3CCCC3)CC2)s1
InChIInChI=1S/C17H28N4OS/c1-2-15-11-18-16(23-15)12-19-17(22)20-13-7-9-21(10-8-13)14-5-3-4-6-14/h11,13-14H,2-10,12H2,1H3,(H2,19,20,22)
InChIKeyHELWFUZZWVCANC-UHFFFAOYSA-N
XLogP2.91
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.51
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea?
The IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea (CID 71862982) is 1-(1-cyclopentylpiperidin-4-yl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea.
What is the SMILES notation for 1-(1-cyclopentylpiperidin-4-yl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea?
The canonical SMILES for 1-(1-cyclopentylpiperidin-4-yl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea is CCc1cnc(CNC(=O)NC2CCN(C3CCCC3)CC2)s1.
What is the InChIKey of 1-(1-cyclopentylpiperidin-4-yl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea?
The InChIKey is HELWFUZZWVCANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4OS/c1-2-15-11-18-16(23-15)12-19-17(22)20-13-7-9-21(10-8-13)14-5-3-4-6-14/h11,13-14H,2-10,12H2,1H3,(H2,19,20,22).
What are the key properties of 1-(1-cyclopentylpiperidin-4-yl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea?
1-(1-cyclopentylpiperidin-4-yl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea has a molecular weight of 336.51 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpiperidin-4-yl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea is sourced from PubChem (CID 71862982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).