1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid

C16H20N2O3 — CID 61160509

IUPAC1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2c1CCCN2C(=O)C1CCCNC1
InChIInChI=1S/C16H20N2O3/c19-15(11-4-2-8-17-10-11)18-9-3-6-12-13(16(20)21)5-1-7-14(12)18/h1,5,7,11,17H,2-4,6,8-10H2,(H,20,21)
InChIKeyWQSCGYIYXMYFQP-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.66
Rot. Bonds2

About 1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid

1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid (PubChem CID 61160509) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
PubChem CID61160509
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2c1CCCN2C(=O)C1CCCNC1
InChIInChI=1S/C16H20N2O3/c19-15(11-4-2-8-17-10-11)18-9-3-6-12-13(16(20)21)5-1-7-14(12)18/h1,5,7,11,17H,2-4,6,8-10H2,(H,20,21)
InChIKeyWQSCGYIYXMYFQP-UHFFFAOYSA-N
XLogP1.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(pyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 63007267
1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 45382581
1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 45382534
1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157417
1-[(2S)-piperidine-2-carbonyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 104913606
1-(5-oxopyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60832350
1-[2-(azetidin-3-yl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 64611406
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 119269291
(4-phenyl-2,3-dihydroindol-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
CID 174921124
(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129819
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone
CID 82707476
1-(piperidine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565113

Frequently Asked Questions

What is the IUPAC name of 1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The IUPAC name of 1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid (CID 61160509) is 1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid.
What is the SMILES notation for 1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The canonical SMILES for 1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid is O=C(O)c1cccc2c1CCCN2C(=O)C1CCCNC1.
What is the InChIKey of 1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The InChIKey is WQSCGYIYXMYFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(11-4-2-8-17-10-11)18-9-3-6-12-13(16(20)21)5-1-7-14(12)18/h1,5,7,11,17H,2-4,6,8-10H2,(H,20,21).
What are the key properties of 1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 61160509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).