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

C16H20N2O3 — CID 28513192

IUPAC1-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C16H20N2O3/c19-15(20)13-7-10-17(11-8-13)16(21)18-9-3-5-12-4-1-2-6-14(12)18/h1-2,4,6,13H,3,5,7-11H2,(H,19,20)
InChIKeyWLUCTAOEBVZRSX-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.36
Rot. Bonds1

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

1-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-4-carboxylic acid (PubChem CID 28513192) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-4-carboxylic acid
PubChem CID28513192
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C16H20N2O3/c19-15(20)13-7-10-17(11-8-13)16(21)18-9-3-5-12-4-1-2-6-14(12)18/h1-2,4,6,13H,3,5,7-11H2,(H,19,20)
InChIKeyWLUCTAOEBVZRSX-UHFFFAOYSA-N
XLogP2.36
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone
CID 108987982
4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperazine-1-carbaldehyde
CID 108988608
3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 139695348
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide
CID 108505743
3,4-dihydro-2H-quinolin-1-yl-(4-pyridin-3-ylpiperidin-1-yl)methanone
CID 24896014
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673139
3,4-dihydro-2H-quinolin-1-yl-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone
CID 24896062
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-phenylpiperidine-4-carbonitrile
CID 24852801
N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 113225655
(2S)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61184197
1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 113006333

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-4-carboxylic acid (CID 28513192) is 1-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)N2CCCc3ccccc32)CC1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is WLUCTAOEBVZRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(20)13-7-10-17(11-8-13)16(21)18-9-3-5-12-4-1-2-6-14(12)18/h1-2,4,6,13H,3,5,7-11H2,(H,19,20).
What are the key properties of 1-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-4-carboxylic acid?
1-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 28513192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).