1-(2-adamantyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea

C23H31N3O2 — CID 164621598

IUPAC1-(2-adamantyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
SMILESO=C(Nc1ccc(C(=O)N2CCCCC2)cc1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C23H31N3O2/c27-22(26-8-2-1-3-9-26)17-4-6-20(7-5-17)24-23(28)25-21-18-11-15-10-16(13-18)14-19(21)12-15/h4-7,15-16,18-19,21H,1-3,8-14H2,(H2,24,25,28)
InChIKeyUARYTBRGAUUZBQ-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.26
Rot. Bonds3

About 1-(2-adamantyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea

1-(2-adamantyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea (PubChem CID 164621598) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-(2-adamantyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-adamantyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
PubChem CID164621598
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name1-(2-adamantyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
SMILESO=C(Nc1ccc(C(=O)N2CCCCC2)cc1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C23H31N3O2/c27-22(26-8-2-1-3-9-26)17-4-6-20(7-5-17)24-23(28)25-21-18-11-15-10-16(13-18)14-19(21)12-15/h4-7,15-16,18-19,21H,1-3,8-14H2,(H2,24,25,28)
InChIKeyUARYTBRGAUUZBQ-UHFFFAOYSA-N
XLogP4.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-(2-adamantyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea (CID 164621598) is 1-(2-adamantyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-(2-adamantyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-(2-adamantyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea is O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea?
The InChIKey is UARYTBRGAUUZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c27-22(26-8-2-1-3-9-26)17-4-6-20(7-5-17)24-23(28)25-21-18-11-15-10-16(13-18)14-19(21)12-15/h4-7,15-16,18-19,21H,1-3,8-14H2,(H2,24,25,28).
What are the key properties of 1-(2-adamantyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea?
1-(2-adamantyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea has a molecular weight of 381.52 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 164621598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).