1-cyclohexyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea

C18H26N4O2 — CID 25070137

IUPAC1-cyclohexyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea
SMILESO=C(NC1CCCCC1)NC1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C18H26N4O2/c23-17(16-8-4-5-11-19-16)22-12-9-15(10-13-22)21-18(24)20-14-6-2-1-3-7-14/h4-5,8,11,14-15H,1-3,6-7,9-10,12-13H2,(H2,20,21,24)
InChIKeyYIUXZLIIOQLHCN-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.32
Rot. Bonds3

About 1-cyclohexyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea

1-cyclohexyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea (PubChem CID 25070137) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea
PubChem CID25070137
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-cyclohexyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea
SMILESO=C(NC1CCCCC1)NC1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C18H26N4O2/c23-17(16-8-4-5-11-19-16)22-12-9-15(10-13-22)21-18(24)20-14-6-2-1-3-7-14/h4-5,8,11,14-15H,1-3,6-7,9-10,12-13H2,(H2,20,21,24)
InChIKeyYIUXZLIIOQLHCN-UHFFFAOYSA-N
XLogP2.32
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea (CID 25070137) is 1-cyclohexyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea is O=C(NC1CCCCC1)NC1CCN(C(=O)c2ccccn2)CC1.
What is the InChIKey of 1-cyclohexyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea?
The InChIKey is YIUXZLIIOQLHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c23-17(16-8-4-5-11-19-16)22-12-9-15(10-13-22)21-18(24)20-14-6-2-1-3-7-14/h4-5,8,11,14-15H,1-3,6-7,9-10,12-13H2,(H2,20,21,24).
What are the key properties of 1-cyclohexyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea?
1-cyclohexyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea has a molecular weight of 330.43 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea is sourced from PubChem (CID 25070137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).