7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydro-1H-quinoline-2,5-dione

C17H22N2O3 — CID 17020151

IUPAC7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydro-1H-quinoline-2,5-dione
SMILESCC1(C)CC(=O)c2cc(C(=O)N3CCCCC3)c(=O)[nH]c2C1
InChIInChI=1S/C17H22N2O3/c1-17(2)9-13-11(14(20)10-17)8-12(15(21)18-13)16(22)19-6-4-3-5-7-19/h8H,3-7,9-10H2,1-2H3,(H,18,21)
InChIKeyZTTSYAGXZUCEOT-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.16
Rot. Bonds1

About 7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydro-1H-quinoline-2,5-dione

7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydro-1H-quinoline-2,5-dione (PubChem CID 17020151) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydro-1H-quinoline-2,5-dione.

Molecular Properties

Compound Name7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydro-1H-quinoline-2,5-dione
PubChem CID17020151
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydro-1H-quinoline-2,5-dione
SMILESCC1(C)CC(=O)c2cc(C(=O)N3CCCCC3)c(=O)[nH]c2C1
InChIInChI=1S/C17H22N2O3/c1-17(2)9-13-11(14(20)10-17)8-12(15(21)18-13)16(22)19-6-4-3-5-7-19/h8H,3-7,9-10H2,1-2H3,(H,18,21)
InChIKeyZTTSYAGXZUCEOT-UHFFFAOYSA-N
XLogP2.16
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydro-1H-quinoline-2,5-dione?
The IUPAC name of 7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydro-1H-quinoline-2,5-dione (CID 17020151) is 7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydro-1H-quinoline-2,5-dione.
What is the SMILES notation for 7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydro-1H-quinoline-2,5-dione?
The canonical SMILES for 7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydro-1H-quinoline-2,5-dione is CC1(C)CC(=O)c2cc(C(=O)N3CCCCC3)c(=O)[nH]c2C1.
What is the InChIKey of 7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydro-1H-quinoline-2,5-dione?
The InChIKey is ZTTSYAGXZUCEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-17(2)9-13-11(14(20)10-17)8-12(15(21)18-13)16(22)19-6-4-3-5-7-19/h8H,3-7,9-10H2,1-2H3,(H,18,21).
What are the key properties of 7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydro-1H-quinoline-2,5-dione?
7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydro-1H-quinoline-2,5-dione has a molecular weight of 302.37 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydro-1H-quinoline-2,5-dione is sourced from PubChem (CID 17020151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).