1-(1-adamantyl)-3-(1-benzylpiperidin-4-yl)urea

C23H33N3O — CID 2955557

IUPAC1-(1-adamantyl)-3-(1-benzylpiperidin-4-yl)urea
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H33N3O/c27-22(25-23-13-18-10-19(14-23)12-20(11-18)15-23)24-21-6-8-26(9-7-21)16-17-4-2-1-3-5-17/h1-5,18-21H,6-16H2,(H2,24,25,27)
InChIKeySZCGIFNKYJVHTL-UHFFFAOYSA-N
MW367.54 g/mol
LogP3.92
Rot. Bonds4

About 1-(1-adamantyl)-3-(1-benzylpiperidin-4-yl)urea

1-(1-adamantyl)-3-(1-benzylpiperidin-4-yl)urea (PubChem CID 2955557) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-(1-benzylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-(1-benzylpiperidin-4-yl)urea
PubChem CID2955557
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name1-(1-adamantyl)-3-(1-benzylpiperidin-4-yl)urea
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H33N3O/c27-22(25-23-13-18-10-19(14-23)12-20(11-18)15-23)24-21-6-8-26(9-7-21)16-17-4-2-1-3-5-17/h1-5,18-21H,6-16H2,(H2,24,25,27)
InChIKeySZCGIFNKYJVHTL-UHFFFAOYSA-N
XLogP3.92
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-(1-benzylpiperidin-4-yl)urea?
The IUPAC name of 1-(1-adamantyl)-3-(1-benzylpiperidin-4-yl)urea (CID 2955557) is 1-(1-adamantyl)-3-(1-benzylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(1-adamantyl)-3-(1-benzylpiperidin-4-yl)urea?
The canonical SMILES for 1-(1-adamantyl)-3-(1-benzylpiperidin-4-yl)urea is O=C(NC1CCN(Cc2ccccc2)CC1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-(1-benzylpiperidin-4-yl)urea?
The InChIKey is SZCGIFNKYJVHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c27-22(25-23-13-18-10-19(14-23)12-20(11-18)15-23)24-21-6-8-26(9-7-21)16-17-4-2-1-3-5-17/h1-5,18-21H,6-16H2,(H2,24,25,27).
What are the key properties of 1-(1-adamantyl)-3-(1-benzylpiperidin-4-yl)urea?
1-(1-adamantyl)-3-(1-benzylpiperidin-4-yl)urea has a molecular weight of 367.54 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-(1-benzylpiperidin-4-yl)urea is sourced from PubChem (CID 2955557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).