1-(1-adamantyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea

C19H31N3O2 — CID 26500532

IUPAC1-(1-adamantyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea
SMILESO=C(NCCC(=O)N1CCCCC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H31N3O2/c23-17(22-6-2-1-3-7-22)4-5-20-18(24)21-19-11-14-8-15(12-19)10-16(9-14)13-19/h14-16H,1-13H2,(H2,20,21,24)
InChIKeyQKWGGWBGMKJZTE-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.66
Rot. Bonds4

About 1-(1-adamantyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea

1-(1-adamantyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea (PubChem CID 26500532) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea
PubChem CID26500532
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-(1-adamantyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea
SMILESO=C(NCCC(=O)N1CCCCC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H31N3O2/c23-17(22-6-2-1-3-7-22)4-5-20-18(24)21-19-11-14-8-15(12-19)10-16(9-14)13-19/h14-16H,1-13H2,(H2,20,21,24)
InChIKeyQKWGGWBGMKJZTE-UHFFFAOYSA-N
XLogP2.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.66
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-(3-oxo-3-piperidin-1-ylpropyl)urea?
The IUPAC name of 1-(1-adamantyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea (CID 26500532) is 1-(1-adamantyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea.
What is the SMILES notation for 1-(1-adamantyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea?
The canonical SMILES for 1-(1-adamantyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea is O=C(NCCC(=O)N1CCCCC1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea?
The InChIKey is QKWGGWBGMKJZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c23-17(22-6-2-1-3-7-22)4-5-20-18(24)21-19-11-14-8-15(12-19)10-16(9-14)13-19/h14-16H,1-13H2,(H2,20,21,24).
What are the key properties of 1-(1-adamantyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea?
1-(1-adamantyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea has a molecular weight of 333.48 g/mol, XLogP of 2.66, 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-(3-oxo-3-piperidin-1-ylpropyl)urea is sourced from PubChem (CID 26500532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).