ethane;phosphanyl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone

C15H23N2OP — CID 143386492

IUPACethane;phosphanyl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
SMILESCC.O=C(P)N1CCC2(CC1)CNc1ccccc12
InChIInChI=1S/C13H17N2OP.C2H6/c16-12(17)15-7-5-13(6-8-15)9-14-11-4-2-1-3-10(11)13;1-2/h1-4,14H,5-9,17H2;1-2H3
InChIKeyCKOYKEHLQFUJLP-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.47
Rot. Bonds

About ethane;phosphanyl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone

ethane;phosphanyl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone (PubChem CID 143386492) has the molecular formula C15H23N2OP and a molecular weight of 278.34 g/mol. Its IUPAC name is ethane;phosphanyl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Nameethane;phosphanyl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
PubChem CID143386492
Molecular FormulaC15H23N2OP
Molecular Weight278.34 g/mol
Exact Mass278.15
IUPAC Nameethane;phosphanyl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
SMILESCC.O=C(P)N1CCC2(CC1)CNc1ccccc12
InChIInChI=1S/C13H17N2OP.C2H6/c16-12(17)15-7-5-13(6-8-15)9-14-11-4-2-1-3-10(11)13;1-2/h1-4,14H,5-9,17H2;1-2H3
InChIKeyCKOYKEHLQFUJLP-UHFFFAOYSA-N
XLogP3.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

pyrrolidin-1-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 67667343
2-methoxy-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone
CID 166286568
1-(1-methylpyrrol-2-yl)-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethane-1,2-dione
CID 77096966
spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
CID 97399955
(2R)-2-hydroxy-4-methylsulfanyl-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylbutan-1-one
CID 99931971
ethane;spiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 123637985
oxolan-2-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 86284648
oxan-4-yl(spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-yl)methanone
CID 175894730
(2S)-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-2-(1,2,4-triazol-1-yl)propan-1-one
CID 99982325
6-ethyl-5-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carbonyl)-1H-pyridin-2-one
CID 162629513
[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone;dihydrochloride
CID 163334344
(6-methyl-1H-indol-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone
CID 167830899

Frequently Asked Questions

What is the IUPAC name of ethane;phosphanyl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone?
The IUPAC name of ethane;phosphanyl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone (CID 143386492) is ethane;phosphanyl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for ethane;phosphanyl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for ethane;phosphanyl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone is CC.O=C(P)N1CCC2(CC1)CNc1ccccc12.
What is the InChIKey of ethane;phosphanyl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone?
The InChIKey is CKOYKEHLQFUJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N2OP.C2H6/c16-12(17)15-7-5-13(6-8-15)9-14-11-4-2-1-3-10(11)13;1-2/h1-4,14H,5-9,17H2;1-2H3.
What are the key properties of ethane;phosphanyl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone?
ethane;phosphanyl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone has a molecular weight of 278.34 g/mol, XLogP of 3.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;phosphanyl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 143386492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).