1-cyclohexyl-3-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]urea

C17H32N4O3 — CID 119750507

IUPAC1-cyclohexyl-3-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]urea
SMILESCOCCNCC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C17H32N4O3/c1-24-12-9-18-13-16(22)21-10-7-15(8-11-21)20-17(23)19-14-5-3-2-4-6-14/h14-15,18H,2-13H2,1H3,(H2,19,20,23)
InChIKeyFRIDHCIGUABZIH-UHFFFAOYSA-N
MW340.47 g/mol
LogP0.85
Rot. Bonds7

About 1-cyclohexyl-3-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]urea

1-cyclohexyl-3-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]urea (PubChem CID 119750507) has the molecular formula C17H32N4O3 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]urea
PubChem CID119750507
Molecular FormulaC17H32N4O3
Molecular Weight340.47 g/mol
Exact Mass340.25
IUPAC Name1-cyclohexyl-3-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]urea
SMILESCOCCNCC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C17H32N4O3/c1-24-12-9-18-13-16(22)21-10-7-15(8-11-21)20-17(23)19-14-5-3-2-4-6-14/h14-15,18H,2-13H2,1H3,(H2,19,20,23)
InChIKeyFRIDHCIGUABZIH-UHFFFAOYSA-N
XLogP0.85
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]urea (CID 119750507) is 1-cyclohexyl-3-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]urea is COCCNCC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-3-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]urea?
The InChIKey is FRIDHCIGUABZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O3/c1-24-12-9-18-13-16(22)21-10-7-15(8-11-21)20-17(23)19-14-5-3-2-4-6-14/h14-15,18H,2-13H2,1H3,(H2,19,20,23).
What are the key properties of 1-cyclohexyl-3-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]urea?
1-cyclohexyl-3-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]urea has a molecular weight of 340.47 g/mol, XLogP of 0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]urea is sourced from PubChem (CID 119750507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).