1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(2-piperidin-1-ylanilino)ethanone

C22H33N3O — CID 78826907

IUPAC1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(2-piperidin-1-ylanilino)ethanone
SMILESO=C(CNc1ccccc1N1CCCCC1)N1CCCC2CCCCC21
InChIInChI=1S/C22H33N3O/c26-22(25-16-8-10-18-9-2-4-12-20(18)25)17-23-19-11-3-5-13-21(19)24-14-6-1-7-15-24/h3,5,11,13,18,20,23H,1-2,4,6-10,12,14-17H2
InChIKeyQFFHKKKEFYINLU-UHFFFAOYSA-N
MW355.53 g/mol
LogP4.27
Rot. Bonds4

About 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(2-piperidin-1-ylanilino)ethanone

1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(2-piperidin-1-ylanilino)ethanone (PubChem CID 78826907) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(2-piperidin-1-ylanilino)ethanone.

Molecular Properties

Compound Name1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(2-piperidin-1-ylanilino)ethanone
PubChem CID78826907
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(2-piperidin-1-ylanilino)ethanone
SMILESO=C(CNc1ccccc1N1CCCCC1)N1CCCC2CCCCC21
InChIInChI=1S/C22H33N3O/c26-22(25-16-8-10-18-9-2-4-12-20(18)25)17-23-19-11-3-5-13-21(19)24-14-6-1-7-15-24/h3,5,11,13,18,20,23H,1-2,4,6-10,12,14-17H2
InChIKeyQFFHKKKEFYINLU-UHFFFAOYSA-N
XLogP4.27
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(2-piperidin-1-ylanilino)ethanone with MolForge

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Related Compounds

1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(2-piperidin-1-ylanilino)ethanone
CID 42897766
2-[2-(azepan-1-yl)anilino]-N-cyclopropylacetamide
CID 25349530
N-(cyclohexylmethyl)-2-pyrrolidin-1-ylaniline
CID 43229105
N-benzhydryl-2-(2-piperidin-1-ylanilino)acetamide
CID 9324469
2-(cyclopentylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 43816730
2-[2-(4-hydroxypiperidin-1-yl)anilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 94631571
1-(2-cyclopentylpyrrolidin-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78916994
2-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 110871977
2-amino-1-(2-cyclohexylpyrrolidin-1-yl)ethanone
CID 60946954
1,4-bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butane-1,4-dione
CID 66795041
2-[2-(azepan-1-yl)anilino]-N-(tert-butylcarbamoyl)acetamide
CID 36588357
N-[2-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 9017964

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(2-piperidin-1-ylanilino)ethanone?
The IUPAC name of 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(2-piperidin-1-ylanilino)ethanone (CID 78826907) is 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(2-piperidin-1-ylanilino)ethanone.
What is the SMILES notation for 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(2-piperidin-1-ylanilino)ethanone?
The canonical SMILES for 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(2-piperidin-1-ylanilino)ethanone is O=C(CNc1ccccc1N1CCCCC1)N1CCCC2CCCCC21.
What is the InChIKey of 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(2-piperidin-1-ylanilino)ethanone?
The InChIKey is QFFHKKKEFYINLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O/c26-22(25-16-8-10-18-9-2-4-12-20(18)25)17-23-19-11-3-5-13-21(19)24-14-6-1-7-15-24/h3,5,11,13,18,20,23H,1-2,4,6-10,12,14-17H2.
What are the key properties of 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(2-piperidin-1-ylanilino)ethanone?
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(2-piperidin-1-ylanilino)ethanone has a molecular weight of 355.53 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(2-piperidin-1-ylanilino)ethanone is sourced from PubChem (CID 78826907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).