but-2-enyl 4-[1-(dimethylcarbamoyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate

C26H38N4O3 — CID 143533110

IUPACbut-2-enyl 4-[1-(dimethylcarbamoyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
SMILESCC=CCOC(=O)N1CCC(N2CCC3(CCN(C(=O)N(C)C)c4ccccc43)CC2)CC1
InChIInChI=1S/C26H38N4O3/c1-4-5-20-33-25(32)29-15-10-21(11-16-29)28-17-12-26(13-18-28)14-19-30(24(31)27(2)3)23-9-7-6-8-22(23)26/h4-9,21H,10-20H2,1-3H3
InChIKeyIILKNSZOJBYLIQ-UHFFFAOYSA-N
MW454.62 g/mol
LogP4.09
Rot. Bonds3

About but-2-enyl 4-[1-(dimethylcarbamoyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate

but-2-enyl 4-[1-(dimethylcarbamoyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate (PubChem CID 143533110) has the molecular formula C26H38N4O3 and a molecular weight of 454.62 g/mol. Its IUPAC name is but-2-enyl 4-[1-(dimethylcarbamoyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebut-2-enyl 4-[1-(dimethylcarbamoyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
PubChem CID143533110
Molecular FormulaC26H38N4O3
Molecular Weight454.62 g/mol
Exact Mass454.29
IUPAC Namebut-2-enyl 4-[1-(dimethylcarbamoyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
SMILESCC=CCOC(=O)N1CCC(N2CCC3(CCN(C(=O)N(C)C)c4ccccc43)CC2)CC1
InChIInChI=1S/C26H38N4O3/c1-4-5-20-33-25(32)29-15-10-21(11-16-29)28-17-12-26(13-18-28)14-19-30(24(31)27(2)3)23-9-7-6-8-22(23)26/h4-9,21H,10-20H2,1-3H3
InChIKeyIILKNSZOJBYLIQ-UHFFFAOYSA-N
XLogP4.09
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze but-2-enyl 4-[1-(dimethylcarbamoyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

methyl 4-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 24798108
1'-[1-[(Z)-1-aminopropylidenecarbamothioyl]piperidin-4-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide
CID 59598967
but-2-enyl 3-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59433824
N,N-dimethyl-1'-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide
CID 23651991
ethyl 4-[1-(piperidine-1-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433227
N,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide
CID 23650390
ethyl 4-[1-(propan-2-ylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen
CID 158646757
but-2-ynyl 4-(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 59433883
methyl 3-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 24798287
propyl (3R)-3-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate
CID 24798472
1'-[8-(1λ3-ioda-2,5-diazacyclohexa-2,4,6-trien-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide
CID 143533089
ethyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433488

Frequently Asked Questions

What is the IUPAC name of but-2-enyl 4-[1-(dimethylcarbamoyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The IUPAC name of but-2-enyl 4-[1-(dimethylcarbamoyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate (CID 143533110) is but-2-enyl 4-[1-(dimethylcarbamoyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate.
What is the SMILES notation for but-2-enyl 4-[1-(dimethylcarbamoyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The canonical SMILES for but-2-enyl 4-[1-(dimethylcarbamoyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate is CC=CCOC(=O)N1CCC(N2CCC3(CCN(C(=O)N(C)C)c4ccccc43)CC2)CC1.
What is the InChIKey of but-2-enyl 4-[1-(dimethylcarbamoyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The InChIKey is IILKNSZOJBYLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O3/c1-4-5-20-33-25(32)29-15-10-21(11-16-29)28-17-12-26(13-18-28)14-19-30(24(31)27(2)3)23-9-7-6-8-22(23)26/h4-9,21H,10-20H2,1-3H3.
What are the key properties of but-2-enyl 4-[1-(dimethylcarbamoyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
but-2-enyl 4-[1-(dimethylcarbamoyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate has a molecular weight of 454.62 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enyl 4-[1-(dimethylcarbamoyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate is sourced from PubChem (CID 143533110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).