1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-7-methyl-1-bicyclo[3.3.1]nonanyl)urea

C20H35N3O2 — CID 145315254

IUPAC1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-7-methyl-1-bicyclo[3.3.1]nonanyl)urea
SMILESCCC1CC2CC(C)CC(NC(=O)NC3CCN(C(C)=O)CC3)(C1)C2
InChIInChI=1S/C20H35N3O2/c1-4-16-10-17-9-14(2)11-20(12-16,13-17)22-19(25)21-18-5-7-23(8-6-18)15(3)24/h14,16-18H,4-13H2,1-3H3,(H2,21,22,25)
InChIKeyZRHUMISZOURALJ-UHFFFAOYSA-N
MW349.52 g/mol
LogP3.29
Rot. Bonds3

About 1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-7-methyl-1-bicyclo[3.3.1]nonanyl)urea

1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-7-methyl-1-bicyclo[3.3.1]nonanyl)urea (PubChem CID 145315254) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-7-methyl-1-bicyclo[3.3.1]nonanyl)urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-7-methyl-1-bicyclo[3.3.1]nonanyl)urea
PubChem CID145315254
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-7-methyl-1-bicyclo[3.3.1]nonanyl)urea
SMILESCCC1CC2CC(C)CC(NC(=O)NC3CCN(C(C)=O)CC3)(C1)C2
InChIInChI=1S/C20H35N3O2/c1-4-16-10-17-9-14(2)11-20(12-16,13-17)22-19(25)21-18-5-7-23(8-6-18)15(3)24/h14,16-18H,4-13H2,1-3H3,(H2,21,22,25)
InChIKeyZRHUMISZOURALJ-UHFFFAOYSA-N
XLogP3.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 53.29
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-(3-ethyl-7-methyl-1-bicyclo[3.3.1]nonanyl)urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-7-methyl-1-bicyclo[3.3.1]nonanyl)urea (CID 145315254) is 1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-7-methyl-1-bicyclo[3.3.1]nonanyl)urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-7-methyl-1-bicyclo[3.3.1]nonanyl)urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-7-methyl-1-bicyclo[3.3.1]nonanyl)urea is CCC1CC2CC(C)CC(NC(=O)NC3CCN(C(C)=O)CC3)(C1)C2.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-7-methyl-1-bicyclo[3.3.1]nonanyl)urea?
The InChIKey is ZRHUMISZOURALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-4-16-10-17-9-14(2)11-20(12-16,13-17)22-19(25)21-18-5-7-23(8-6-18)15(3)24/h14,16-18H,4-13H2,1-3H3,(H2,21,22,25).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-7-methyl-1-bicyclo[3.3.1]nonanyl)urea?
1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-7-methyl-1-bicyclo[3.3.1]nonanyl)urea has a molecular weight of 349.52 g/mol, XLogP of 3.29, 3 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-(3-ethyl-7-methyl-1-bicyclo[3.3.1]nonanyl)urea is sourced from PubChem (CID 145315254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).