ethane;1-spiro[3H-naphthalene-4,4'-piperidine]-1-ylethanone

C18H25NO — CID 91052869

IUPACethane;1-spiro[3H-naphthalene-4,4'-piperidine]-1-ylethanone
SMILESCC.CC(=O)C1=CCC2(CCNCC2)c2ccccc21
InChIInChI=1S/C16H19NO.C2H6/c1-12(18)13-6-7-16(8-10-17-11-9-16)15-5-3-2-4-14(13)15;1-2/h2-6,17H,7-11H2,1H3;1-2H3
InChIKeyLVGSNOQRAXHVCT-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.71
Rot. Bonds1

About ethane;1-spiro[3H-naphthalene-4,4'-piperidine]-1-ylethanone

ethane;1-spiro[3H-naphthalene-4,4'-piperidine]-1-ylethanone (PubChem CID 91052869) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is ethane;1-spiro[3H-naphthalene-4,4'-piperidine]-1-ylethanone.

Molecular Properties

Compound Nameethane;1-spiro[3H-naphthalene-4,4'-piperidine]-1-ylethanone
PubChem CID91052869
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Nameethane;1-spiro[3H-naphthalene-4,4'-piperidine]-1-ylethanone
SMILESCC.CC(=O)C1=CCC2(CCNCC2)c2ccccc21
InChIInChI=1S/C16H19NO.C2H6/c1-12(18)13-6-7-16(8-10-17-11-9-16)15-5-3-2-4-14(13)15;1-2/h2-6,17H,7-11H2,1H3;1-2H3
InChIKeyLVGSNOQRAXHVCT-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[3H-naphthalene-4,4'-piperidine]-1-carboxylic acid
CID 59600606
spiro[2H-indene-3,4'-piperidine]-1-one;hydrochloride
CID 18673582
1-O'-tert-butyl 1-O-methyl spiro[3H-naphthalene-4,4'-piperidine]-1,1'-dicarboxylate
CID 59600625
[1'-(3,3-dimethylbutyl)spiro[3H-naphthalene-4,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone
CID 25012000
1-[4-(2-methylphenyl)piperidin-4-yl]propan-1-one
CID 82289312
ethane;spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90737087
(4R)-4-methyl-1-spiro[indene-3,4'-piperidine]-1-ylhexan-1-one
CID 143604165
N-(4-anilinophenyl)spiro[indene-3,4'-piperidine]-1-carboxamide
CID 97449030
4-fluoro-4-(2-methylphenyl)piperidine
CID 69232265
2,2-dimethyl-1-spiro[2H-indole-3,4'-piperidine]-1-ylpropan-1-one
CID 57041656
propane;spiro[1,2-dihydroindene-3,4'-piperidine]
CID 91126362
2-(cyclopropylmethyl)spiro[3H-isoquinoline-4,4'-piperidine]-1-one
CID 22380612

Frequently Asked Questions

What is the IUPAC name of ethane;1-spiro[3H-naphthalene-4,4'-piperidine]-1-ylethanone?
The IUPAC name of ethane;1-spiro[3H-naphthalene-4,4'-piperidine]-1-ylethanone (CID 91052869) is ethane;1-spiro[3H-naphthalene-4,4'-piperidine]-1-ylethanone.
What is the SMILES notation for ethane;1-spiro[3H-naphthalene-4,4'-piperidine]-1-ylethanone?
The canonical SMILES for ethane;1-spiro[3H-naphthalene-4,4'-piperidine]-1-ylethanone is CC.CC(=O)C1=CCC2(CCNCC2)c2ccccc21.
What is the InChIKey of ethane;1-spiro[3H-naphthalene-4,4'-piperidine]-1-ylethanone?
The InChIKey is LVGSNOQRAXHVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.C2H6/c1-12(18)13-6-7-16(8-10-17-11-9-16)15-5-3-2-4-14(13)15;1-2/h2-6,17H,7-11H2,1H3;1-2H3.
What are the key properties of ethane;1-spiro[3H-naphthalene-4,4'-piperidine]-1-ylethanone?
ethane;1-spiro[3H-naphthalene-4,4'-piperidine]-1-ylethanone has a molecular weight of 271.40 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-spiro[3H-naphthalene-4,4'-piperidine]-1-ylethanone is sourced from PubChem (CID 91052869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).