1-(1-adamantyl)-3-[(1-benzylpiperidin-4-yl)methyl]urea

C24H35N3O — CID 24849909

IUPAC1-(1-adamantyl)-3-[(1-benzylpiperidin-4-yl)methyl]urea
SMILESO=C(NCC1CCN(Cc2ccccc2)CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H35N3O/c28-23(26-24-13-20-10-21(14-24)12-22(11-20)15-24)25-16-18-6-8-27(9-7-18)17-19-4-2-1-3-5-19/h1-5,18,20-22H,6-17H2,(H2,25,26,28)
InChIKeyFHGMTVBOXNCKKA-UHFFFAOYSA-N
MW381.56 g/mol
LogP4.17
Rot. Bonds5

About 1-(1-adamantyl)-3-[(1-benzylpiperidin-4-yl)methyl]urea

1-(1-adamantyl)-3-[(1-benzylpiperidin-4-yl)methyl]urea (PubChem CID 24849909) has the molecular formula C24H35N3O and a molecular weight of 381.56 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[(1-benzylpiperidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[(1-benzylpiperidin-4-yl)methyl]urea
PubChem CID24849909
Molecular FormulaC24H35N3O
Molecular Weight381.56 g/mol
Exact Mass381.28
IUPAC Name1-(1-adamantyl)-3-[(1-benzylpiperidin-4-yl)methyl]urea
SMILESO=C(NCC1CCN(Cc2ccccc2)CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H35N3O/c28-23(26-24-13-20-10-21(14-24)12-22(11-20)15-24)25-16-18-6-8-27(9-7-18)17-19-4-2-1-3-5-19/h1-5,18,20-22H,6-17H2,(H2,25,26,28)
InChIKeyFHGMTVBOXNCKKA-UHFFFAOYSA-N
XLogP4.17
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.56
LogP ≤ 54.17
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)methyl]urea?
The IUPAC name of 1-(1-adamantyl)-3-[(1-benzylpiperidin-4-yl)methyl]urea (CID 24849909) is 1-(1-adamantyl)-3-[(1-benzylpiperidin-4-yl)methyl]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[(1-benzylpiperidin-4-yl)methyl]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[(1-benzylpiperidin-4-yl)methyl]urea is O=C(NCC1CCN(Cc2ccccc2)CC1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-[(1-benzylpiperidin-4-yl)methyl]urea?
The InChIKey is FHGMTVBOXNCKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O/c28-23(26-24-13-20-10-21(14-24)12-22(11-20)15-24)25-16-18-6-8-27(9-7-18)17-19-4-2-1-3-5-19/h1-5,18,20-22H,6-17H2,(H2,25,26,28).
What are the key properties of 1-(1-adamantyl)-3-[(1-benzylpiperidin-4-yl)methyl]urea?
1-(1-adamantyl)-3-[(1-benzylpiperidin-4-yl)methyl]urea has a molecular weight of 381.56 g/mol, XLogP of 4.17, 5 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)methyl]urea is sourced from PubChem (CID 24849909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).