1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-5-piperidin-1-ylpentane-1,5-dione

C19H30N2O2 — CID 66794341

IUPAC1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-5-piperidin-1-ylpentane-1,5-dione
SMILESO=C(CCCC(=O)N1CCCC2CCCC=C21)N1CCCCC1
InChIInChI=1S/C19H30N2O2/c22-18(20-13-4-1-5-14-20)11-6-12-19(23)21-15-7-9-16-8-2-3-10-17(16)21/h10,16H,1-9,11-15H2
InChIKeyIRGUUCPHPGQHTC-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.48
Rot. Bonds4

About 1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-5-piperidin-1-ylpentane-1,5-dione

1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-5-piperidin-1-ylpentane-1,5-dione (PubChem CID 66794341) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-5-piperidin-1-ylpentane-1,5-dione.

Molecular Properties

Compound Name1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-5-piperidin-1-ylpentane-1,5-dione
PubChem CID66794341
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-5-piperidin-1-ylpentane-1,5-dione
SMILESO=C(CCCC(=O)N1CCCC2CCCC=C21)N1CCCCC1
InChIInChI=1S/C19H30N2O2/c22-18(20-13-4-1-5-14-20)11-6-12-19(23)21-15-7-9-16-8-2-3-10-17(16)21/h10,16H,1-9,11-15H2
InChIKeyIRGUUCPHPGQHTC-UHFFFAOYSA-N
XLogP3.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-5-piperidin-1-ylpentane-1,5-dione with MolForge

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Related Compounds

1-ethyl-4a-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one
CID 53015308
1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-5-(3-methylpiperidin-1-yl)pentane-1,5-dione
CID 66794066
1-(3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-yl)-5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)pentane-1,5-dione
CID 66794105
1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-(3,5-dimethylpiperidin-1-yl)propane-1,3-dione
CID 66794117
1-(3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-yl)-5-(4-methylpiperidin-1-yl)pentane-1,5-dione
CID 66794131
1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-4-(3-methylpiperidin-1-yl)butane-1,4-dione
CID 66794153
1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-4-(3,5-dimethylpiperidin-1-yl)butane-1,4-dione
CID 66794156
1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-5-(4-methylpiperazin-1-yl)pentane-1,5-dione
CID 66794165
1,5-bis(3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-yl)pentane-1,5-dione
CID 66794168
1-(3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-yl)-3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)propane-1,3-dione
CID 66794271
1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-4-piperidin-1-ylbutane-1,4-dione
CID 66794298
1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-5-(4-hydroxypiperidin-1-yl)pentane-1,5-dione
CID 66794306

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-5-piperidin-1-ylpentane-1,5-dione?
The IUPAC name of 1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-5-piperidin-1-ylpentane-1,5-dione (CID 66794341) is 1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-5-piperidin-1-ylpentane-1,5-dione.
What is the SMILES notation for 1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-5-piperidin-1-ylpentane-1,5-dione?
The canonical SMILES for 1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-5-piperidin-1-ylpentane-1,5-dione is O=C(CCCC(=O)N1CCCC2CCCC=C21)N1CCCCC1.
What is the InChIKey of 1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-5-piperidin-1-ylpentane-1,5-dione?
The InChIKey is IRGUUCPHPGQHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c22-18(20-13-4-1-5-14-20)11-6-12-19(23)21-15-7-9-16-8-2-3-10-17(16)21/h10,16H,1-9,11-15H2.
What are the key properties of 1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-5-piperidin-1-ylpentane-1,5-dione?
1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-5-piperidin-1-ylpentane-1,5-dione has a molecular weight of 318.46 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-5-piperidin-1-ylpentane-1,5-dione is sourced from PubChem (CID 66794341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).