1'-[1-[(Z)-1-aminopropylidenecarbamothioyl]piperidin-4-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide

C25H38N6OS — CID 59598967

IUPAC1'-[1-[(Z)-1-aminopropylidenecarbamothioyl]piperidin-4-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide
SMILESCC/C(N)=N/C(=S)N1CCC(N2CCC3(CCN(C(=O)N(C)C)c4ccccc43)CC2)CC1
InChIInChI=1S/C25H38N6OS/c1-4-22(26)27-23(33)30-14-9-19(10-15-30)29-16-11-25(12-17-29)13-18-31(24(32)28(2)3)21-8-6-5-7-20(21)25/h5-8,19H,4,9-18H2,1-3H3,(H2,26,27,33)
InChIKeyNCBYXBOMYHBQKS-UHFFFAOYSA-N
MW470.69 g/mol
LogP3.43
Rot. Bonds2

About 1'-[1-[(Z)-1-aminopropylidenecarbamothioyl]piperidin-4-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide

1'-[1-[(Z)-1-aminopropylidenecarbamothioyl]piperidin-4-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide (PubChem CID 59598967) has the molecular formula C25H38N6OS and a molecular weight of 470.69 g/mol. Its IUPAC name is 1'-[1-[(Z)-1-aminopropylidenecarbamothioyl]piperidin-4-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name1'-[1-[(Z)-1-aminopropylidenecarbamothioyl]piperidin-4-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide
PubChem CID59598967
Molecular FormulaC25H38N6OS
Molecular Weight470.69 g/mol
Exact Mass470.28
IUPAC Name1'-[1-[(Z)-1-aminopropylidenecarbamothioyl]piperidin-4-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide
SMILESCC/C(N)=N/C(=S)N1CCC(N2CCC3(CCN(C(=O)N(C)C)c4ccccc43)CC2)CC1
InChIInChI=1S/C25H38N6OS/c1-4-22(26)27-23(33)30-14-9-19(10-15-30)29-16-11-25(12-17-29)13-18-31(24(32)28(2)3)21-8-6-5-7-20(21)25/h5-8,19H,4,9-18H2,1-3H3,(H2,26,27,33)
InChIKeyNCBYXBOMYHBQKS-UHFFFAOYSA-N
XLogP3.43
TPSA68.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.69
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

but-2-enyl 4-[1-(dimethylcarbamoyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 143533110
methyl 4-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 24798108
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
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
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-[1-(piperidine-1-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433227
N,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23651713
methyl 3-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 24798287
N,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23650230
ethyl 4-[1-(propan-2-ylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen
CID 158646757
1'-[1-(6-bromo-1,2-dihydropyrazin-3-yl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 143498458
propyl (3R)-3-[[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]pyrrolidine-1-carboxylate
CID 24798472

Frequently Asked Questions

What is the IUPAC name of 1'-[1-[(Z)-1-aminopropylidenecarbamothioyl]piperidin-4-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide?
The IUPAC name of 1'-[1-[(Z)-1-aminopropylidenecarbamothioyl]piperidin-4-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide (CID 59598967) is 1'-[1-[(Z)-1-aminopropylidenecarbamothioyl]piperidin-4-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 1'-[1-[(Z)-1-aminopropylidenecarbamothioyl]piperidin-4-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide?
The canonical SMILES for 1'-[1-[(Z)-1-aminopropylidenecarbamothioyl]piperidin-4-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide is CC/C(N)=N/C(=S)N1CCC(N2CCC3(CCN(C(=O)N(C)C)c4ccccc43)CC2)CC1.
What is the InChIKey of 1'-[1-[(Z)-1-aminopropylidenecarbamothioyl]piperidin-4-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide?
The InChIKey is NCBYXBOMYHBQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N6OS/c1-4-22(26)27-23(33)30-14-9-19(10-15-30)29-16-11-25(12-17-29)13-18-31(24(32)28(2)3)21-8-6-5-7-20(21)25/h5-8,19H,4,9-18H2,1-3H3,(H2,26,27,33).
What are the key properties of 1'-[1-[(Z)-1-aminopropylidenecarbamothioyl]piperidin-4-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide?
1'-[1-[(Z)-1-aminopropylidenecarbamothioyl]piperidin-4-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide has a molecular weight of 470.69 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-[(Z)-1-aminopropylidenecarbamothioyl]piperidin-4-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 59598967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).