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

C18H29N3O2 — CID 12000797

IUPAC1-(1-acetylpiperidin-4-yl)-3-(1-adamantyl)urea
SMILESCC(=O)N1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C18H29N3O2/c1-12(22)21-4-2-16(3-5-21)19-17(23)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,2-11H2,1H3,(H2,19,20,23)
InChIKeyHUDQLWBKJOMXSZ-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.27
Rot. Bonds2

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

1-(1-acetylpiperidin-4-yl)-3-(1-adamantyl)urea (PubChem CID 12000797) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-(1-adamantyl)urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-(1-adamantyl)urea
PubChem CID12000797
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-(1-adamantyl)urea
SMILESCC(=O)N1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C18H29N3O2/c1-12(22)21-4-2-16(3-5-21)19-17(23)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,2-11H2,1H3,(H2,19,20,23)
InChIKeyHUDQLWBKJOMXSZ-UHFFFAOYSA-N
XLogP2.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(1-adamantyl)urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(1-adamantyl)urea (CID 12000797) is 1-(1-acetylpiperidin-4-yl)-3-(1-adamantyl)urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-(1-adamantyl)urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-(1-adamantyl)urea is CC(=O)N1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-(1-adamantyl)urea?
The InChIKey is HUDQLWBKJOMXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-12(22)21-4-2-16(3-5-21)19-17(23)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,2-11H2,1H3,(H2,19,20,23).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-(1-adamantyl)urea?
1-(1-acetylpiperidin-4-yl)-3-(1-adamantyl)urea has a molecular weight of 319.45 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-(1-adamantyl)urea is sourced from PubChem (CID 12000797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).