1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-1,5,7-trifluoro-3-bicyclo[3.3.1]nonanyl)urea

C19H30F3N3O2 — CID 70991631

IUPAC1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-1,5,7-trifluoro-3-bicyclo[3.3.1]nonanyl)urea
SMILESCCC1(NC(=O)NC2CCN(C(C)=O)CC2)CC2(F)CC(F)CC(F)(C2)C1
InChIInChI=1S/C19H30F3N3O2/c1-3-19(11-17(21)8-14(20)9-18(22,10-17)12-19)24-16(27)23-15-4-6-25(7-5-15)13(2)26/h14-15H,3-12H2,1-2H3,(H2,23,24,27)
InChIKeyNKFHCKJJAPMKGH-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.18
Rot. Bonds3

About 1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-1,5,7-trifluoro-3-bicyclo[3.3.1]nonanyl)urea

1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-1,5,7-trifluoro-3-bicyclo[3.3.1]nonanyl)urea (PubChem CID 70991631) has the molecular formula C19H30F3N3O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-1,5,7-trifluoro-3-bicyclo[3.3.1]nonanyl)urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-1,5,7-trifluoro-3-bicyclo[3.3.1]nonanyl)urea
PubChem CID70991631
Molecular FormulaC19H30F3N3O2
Molecular Weight389.46 g/mol
Exact Mass389.23
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-1,5,7-trifluoro-3-bicyclo[3.3.1]nonanyl)urea
SMILESCCC1(NC(=O)NC2CCN(C(C)=O)CC2)CC2(F)CC(F)CC(F)(C2)C1
InChIInChI=1S/C19H30F3N3O2/c1-3-19(11-17(21)8-14(20)9-18(22,10-17)12-19)24-16(27)23-15-4-6-25(7-5-15)13(2)26/h14-15H,3-12H2,1-2H3,(H2,23,24,27)
InChIKeyNKFHCKJJAPMKGH-UHFFFAOYSA-N
XLogP3.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-1,5,7-trifluoro-3-bicyclo[3.3.1]nonanyl)urea with MolForge

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Related Compounds

1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(3-ethyl-3-bicyclo[3.3.1]nonanyl)urea
CID 145475085
1-(1-acetylpiperidin-4-yl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 47196092
1-cyclobutyl-3-(1-ethylcyclobutyl)urea
CID 115673198
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-7-methyl-1-bicyclo[3.3.1]nonanyl)urea
CID 145315254
ethane;1-[3-(ethylamino)pyrrolidin-1-yl]ethanone
CID 143082403
1-(1-acetylpiperidin-4-yl)-3-(oxan-4-yl)urea
CID 25073596
1-acetyl-N-(4-ethyl-4-methylcyclohexyl)piperidine-4-carboxamide
CID 130233575
1-(1-acetylpiperidin-4-yl)-3-(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)urea
CID 156754670
N-(1-acetylpiperidin-4-yl)-2-methoxypropanamide
CID 47308595
N-(1-acetylpyrrolidin-3-yl)acetamide
CID 21285269
4-(1-adamantylcarbamoylamino)-N,N-diethylpiperidine-1-carboxamide
CID 3220721

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-1,5,7-trifluoro-3-bicyclo[3.3.1]nonanyl)urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-1,5,7-trifluoro-3-bicyclo[3.3.1]nonanyl)urea (CID 70991631) is 1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-1,5,7-trifluoro-3-bicyclo[3.3.1]nonanyl)urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-1,5,7-trifluoro-3-bicyclo[3.3.1]nonanyl)urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-1,5,7-trifluoro-3-bicyclo[3.3.1]nonanyl)urea is CCC1(NC(=O)NC2CCN(C(C)=O)CC2)CC2(F)CC(F)CC(F)(C2)C1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-1,5,7-trifluoro-3-bicyclo[3.3.1]nonanyl)urea?
The InChIKey is NKFHCKJJAPMKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30F3N3O2/c1-3-19(11-17(21)8-14(20)9-18(22,10-17)12-19)24-16(27)23-15-4-6-25(7-5-15)13(2)26/h14-15H,3-12H2,1-2H3,(H2,23,24,27).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-1,5,7-trifluoro-3-bicyclo[3.3.1]nonanyl)urea?
1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-1,5,7-trifluoro-3-bicyclo[3.3.1]nonanyl)urea has a molecular weight of 389.46 g/mol, XLogP of 3.18, 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-1,5,7-trifluoro-3-bicyclo[3.3.1]nonanyl)urea is sourced from PubChem (CID 70991631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).