ethane;1-spiro[9H-anthracene-10,4'-piperidine]-1'-ylethanone

C24H33NO — CID 90873520

IUPACethane;1-spiro[9H-anthracene-10,4'-piperidine]-1'-ylethanone
SMILESCC.CC.CC(=O)N1CCC2(CC1)c1ccccc1Cc1ccccc12
InChIInChI=1S/C20H21NO.2C2H6/c1-15(22)21-12-10-20(11-13-21)18-8-4-2-6-16(18)14-17-7-3-5-9-19(17)20;2*1-2/h2-9H,10-14H2,1H3;2*1-2H3
InChIKeyNISVTKRHLUGNGL-UHFFFAOYSA-N
MW351.53 g/mol
LogP5.57
Rot. Bonds

About ethane;1-spiro[9H-anthracene-10,4'-piperidine]-1'-ylethanone

ethane;1-spiro[9H-anthracene-10,4'-piperidine]-1'-ylethanone (PubChem CID 90873520) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is ethane;1-spiro[9H-anthracene-10,4'-piperidine]-1'-ylethanone.

Molecular Properties

Compound Nameethane;1-spiro[9H-anthracene-10,4'-piperidine]-1'-ylethanone
PubChem CID90873520
Molecular FormulaC24H33NO
Molecular Weight351.53 g/mol
Exact Mass351.26
IUPAC Nameethane;1-spiro[9H-anthracene-10,4'-piperidine]-1'-ylethanone
SMILESCC.CC.CC(=O)N1CCC2(CC1)c1ccccc1Cc1ccccc12
InChIInChI=1S/C20H21NO.2C2H6/c1-15(22)21-12-10-20(11-13-21)18-8-4-2-6-16(18)14-17-7-3-5-9-19(17)20;2*1-2/h2-9H,10-14H2,1H3;2*1-2H3
InChIKeyNISVTKRHLUGNGL-UHFFFAOYSA-N
XLogP5.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.53
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

tert-butyl (2E)-2-hydroxyiminospiro[1H-indene-3,4'-piperidine]-1'-carboxylate
CID 146482536
1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 19375487
1-acetyl-4-(2-fluorophenyl)piperidine-4-carboxylic acid
CID 82304051
1'-methylspiro[1H-indene-3,3'-azetidine]-2-one
CID 170719350
ethane;methane;10,10'-spirobi[9H-anthracene]
CID 157229277
ethane;1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 143511825
spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 69477895
spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
CID 66954084
1-(4-methoxy-4-phenylpiperidin-1-yl)ethanone
CID 126758606
1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)piperidin-1-yl]ethanone
CID 72863540
tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate
CID 146553615
1-acetyl-4-anilinopiperidine-4-carboxylic acid
CID 114239013

Frequently Asked Questions

What is the IUPAC name of ethane;1-spiro[9H-anthracene-10,4'-piperidine]-1'-ylethanone?
The IUPAC name of ethane;1-spiro[9H-anthracene-10,4'-piperidine]-1'-ylethanone (CID 90873520) is ethane;1-spiro[9H-anthracene-10,4'-piperidine]-1'-ylethanone.
What is the SMILES notation for ethane;1-spiro[9H-anthracene-10,4'-piperidine]-1'-ylethanone?
The canonical SMILES for ethane;1-spiro[9H-anthracene-10,4'-piperidine]-1'-ylethanone is CC.CC.CC(=O)N1CCC2(CC1)c1ccccc1Cc1ccccc12.
What is the InChIKey of ethane;1-spiro[9H-anthracene-10,4'-piperidine]-1'-ylethanone?
The InChIKey is NISVTKRHLUGNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO.2C2H6/c1-15(22)21-12-10-20(11-13-21)18-8-4-2-6-16(18)14-17-7-3-5-9-19(17)20;2*1-2/h2-9H,10-14H2,1H3;2*1-2H3.
What are the key properties of ethane;1-spiro[9H-anthracene-10,4'-piperidine]-1'-ylethanone?
ethane;1-spiro[9H-anthracene-10,4'-piperidine]-1'-ylethanone has a molecular weight of 351.53 g/mol, XLogP of 5.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-spiro[9H-anthracene-10,4'-piperidine]-1'-ylethanone is sourced from PubChem (CID 90873520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).