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

C22H30N4O2 — CID 24849238

IUPAC1-(1-adamantyl)-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea
SMILESO=C(NC1CCN(C(=O)c2ccccn2)CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H30N4O2/c27-20(19-3-1-2-6-23-19)26-7-4-18(5-8-26)24-21(28)25-22-12-15-9-16(13-22)11-17(10-15)14-22/h1-3,6,15-18H,4-5,7-14H2,(H2,24,25,28)
InChIKeyIRECNBVAXAEKPM-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.95
Rot. Bonds3

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

1-(1-adamantyl)-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea (PubChem CID 24849238) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea
PubChem CID24849238
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-(1-adamantyl)-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea
SMILESO=C(NC1CCN(C(=O)c2ccccn2)CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H30N4O2/c27-20(19-3-1-2-6-23-19)26-7-4-18(5-8-26)24-21(28)25-22-12-15-9-16(13-22)11-17(10-15)14-22/h1-3,6,15-18H,4-5,7-14H2,(H2,24,25,28)
InChIKeyIRECNBVAXAEKPM-UHFFFAOYSA-N
XLogP2.95
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea?
The IUPAC name of 1-(1-adamantyl)-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea (CID 24849238) is 1-(1-adamantyl)-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea is O=C(NC1CCN(C(=O)c2ccccn2)CC1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea?
The InChIKey is IRECNBVAXAEKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c27-20(19-3-1-2-6-23-19)26-7-4-18(5-8-26)24-21(28)25-22-12-15-9-16(13-22)11-17(10-15)14-22/h1-3,6,15-18H,4-5,7-14H2,(H2,24,25,28).
What are the key properties of 1-(1-adamantyl)-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea?
1-(1-adamantyl)-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea has a molecular weight of 382.51 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea is sourced from PubChem (CID 24849238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).