4-[4-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)thiophen-2-yl]-N-(2-aminoethyl)piperidine-1-carboxamide

C22H32N4O2S — CID 68789260

IUPAC4-[4-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)thiophen-2-yl]-N-(2-aminoethyl)piperidine-1-carboxamide
SMILESNCCNC(=O)N1CCC(c2cc(C(=O)N3CCCC4CCCC=C43)cs2)CC1
InChIInChI=1S/C22H32N4O2S/c23-9-10-24-22(28)25-12-7-17(8-13-25)20-14-18(15-29-20)21(27)26-11-3-5-16-4-1-2-6-19(16)26/h6,14-17H,1-5,7-13,23H2,(H,24,28)
InChIKeyGWRMUNRAZWSHOE-UHFFFAOYSA-N
MW416.59 g/mol
LogP3.52
Rot. Bonds4

About 4-[4-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)thiophen-2-yl]-N-(2-aminoethyl)piperidine-1-carboxamide

4-[4-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)thiophen-2-yl]-N-(2-aminoethyl)piperidine-1-carboxamide (PubChem CID 68789260) has the molecular formula C22H32N4O2S and a molecular weight of 416.59 g/mol. Its IUPAC name is 4-[4-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)thiophen-2-yl]-N-(2-aminoethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)thiophen-2-yl]-N-(2-aminoethyl)piperidine-1-carboxamide
PubChem CID68789260
Molecular FormulaC22H32N4O2S
Molecular Weight416.59 g/mol
Exact Mass416.22
IUPAC Name4-[4-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)thiophen-2-yl]-N-(2-aminoethyl)piperidine-1-carboxamide
SMILESNCCNC(=O)N1CCC(c2cc(C(=O)N3CCCC4CCCC=C43)cs2)CC1
InChIInChI=1S/C22H32N4O2S/c23-9-10-24-22(28)25-12-7-17(8-13-25)20-14-18(15-29-20)21(27)26-11-3-5-16-4-1-2-6-19(16)26/h6,14-17H,1-5,7-13,23H2,(H,24,28)
InChIKeyGWRMUNRAZWSHOE-UHFFFAOYSA-N
XLogP3.52
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide
CID 123719557
2-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)-5-chlorobenzamide
CID 68835701
3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl-[5-(2-fluoro-4-pyridinyl)thiophen-3-yl]methanone
CID 66849936
N-(3-aminopropyl)-3,4,4a,5,6,7-hexahydro-1H-isoquinoline-2-carboxamide
CID 123678533
1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-chloroethanone
CID 66794369
N-[3-[methyl(propyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide
CID 123208252
1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-sulfanylpropan-1-one
CID 87153995
1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)ethanone
CID 68573045
N-[3-(cyclopentylcarbamothioylamino)propyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide
CID 123858358
3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl-[2-(cyclopenten-1-yl)-1,3-thiazol-4-yl]methanone
CID 68684179
N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]-2-thiophen-2-ylacetamide
CID 66794253
1-N-(2-aminoethyl)piperidine-1,4-dicarboxamide
CID 82508838

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)thiophen-2-yl]-N-(2-aminoethyl)piperidine-1-carboxamide?
The IUPAC name of 4-[4-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)thiophen-2-yl]-N-(2-aminoethyl)piperidine-1-carboxamide (CID 68789260) is 4-[4-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)thiophen-2-yl]-N-(2-aminoethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)thiophen-2-yl]-N-(2-aminoethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[4-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)thiophen-2-yl]-N-(2-aminoethyl)piperidine-1-carboxamide is NCCNC(=O)N1CCC(c2cc(C(=O)N3CCCC4CCCC=C43)cs2)CC1.
What is the InChIKey of 4-[4-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)thiophen-2-yl]-N-(2-aminoethyl)piperidine-1-carboxamide?
The InChIKey is GWRMUNRAZWSHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2S/c23-9-10-24-22(28)25-12-7-17(8-13-25)20-14-18(15-29-20)21(27)26-11-3-5-16-4-1-2-6-19(16)26/h6,14-17H,1-5,7-13,23H2,(H,24,28).
What are the key properties of 4-[4-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)thiophen-2-yl]-N-(2-aminoethyl)piperidine-1-carboxamide?
4-[4-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)thiophen-2-yl]-N-(2-aminoethyl)piperidine-1-carboxamide has a molecular weight of 416.59 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbonyl)thiophen-2-yl]-N-(2-aminoethyl)piperidine-1-carboxamide is sourced from PubChem (CID 68789260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).