cyclohexyl(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone

C20H27NO2 — CID 90565574

IUPACcyclohexyl(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone
SMILESO=C(C1CCCCC1)N1CCC2(CCc3ccccc3O2)CC1
InChIInChI=1S/C20H27NO2/c22-19(17-7-2-1-3-8-17)21-14-12-20(13-15-21)11-10-16-6-4-5-9-18(16)23-20/h4-6,9,17H,1-3,7-8,10-15H2
InChIKeyRPVTTYLZMSQAOM-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.95
Rot. Bonds1

About cyclohexyl(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone

cyclohexyl(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone (PubChem CID 90565574) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is cyclohexyl(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Namecyclohexyl(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone
PubChem CID90565574
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Namecyclohexyl(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone
SMILESO=C(C1CCCCC1)N1CCC2(CCc3ccccc3O2)CC1
InChIInChI=1S/C20H27NO2/c22-19(17-7-2-1-3-8-17)21-14-12-20(13-15-21)11-10-16-6-4-5-9-18(16)23-20/h4-6,9,17H,1-3,7-8,10-15H2
InChIKeyRPVTTYLZMSQAOM-UHFFFAOYSA-N
XLogP3.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)pyrrolidin-2-one
CID 90565518
cyclopentyl-[4-(6-methylpyrimidin-4-yl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl]methanone
CID 136575526
1-[1'-(oxane-4-carbonyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl]ethanone
CID 95853993
1-[4-(1-methylpiperidine-4-carbonyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl]ethanone
CID 134788094
cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone
CID 38382766
spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
CID 90565729
1'-(1-acetylpiperidine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734267
cyclobutyl-[(3R)-3-(N-ethylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 124983182
1'-(cyclopentanecarbonyl)spiro[2,4-dihydro-1,4-benzoxazepine-3,4'-piperidine]-5-one
CID 134795741
(3,4-dimethylphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565592
(4-methoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565595
(2,5-dichlorophenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565621

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone?
The IUPAC name of cyclohexyl(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone (CID 90565574) is cyclohexyl(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for cyclohexyl(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for cyclohexyl(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone is O=C(C1CCCCC1)N1CCC2(CCc3ccccc3O2)CC1.
What is the InChIKey of cyclohexyl(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone?
The InChIKey is RPVTTYLZMSQAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c22-19(17-7-2-1-3-8-17)21-14-12-20(13-15-21)11-10-16-6-4-5-9-18(16)23-20/h4-6,9,17H,1-3,7-8,10-15H2.
What are the key properties of cyclohexyl(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone?
cyclohexyl(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone has a molecular weight of 313.44 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 90565574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).