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

C16H20N2O3 — CID 106901890

IUPAC1-[(3R)-piperidine-3-carbonyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N(C(=O)[C@@H]2CCCNC2)C1
InChIInChI=1S/C16H20N2O3/c19-15(12-5-3-7-17-9-12)18-10-13(16(20)21)8-11-4-1-2-6-14(11)18/h1-2,4,6,12-13,17H,3,5,7-10H2,(H,20,21)/t12-,13?/m1/s1
InChIKeyQPILRKGZGSXHJK-PZORYLMUSA-N
MW288.35 g/mol
LogP1.28
Rot. Bonds2

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

1-[(3R)-piperidine-3-carbonyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid (PubChem CID 106901890) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[(3R)-piperidine-3-carbonyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3R)-piperidine-3-carbonyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
PubChem CID106901890
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[(3R)-piperidine-3-carbonyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N(C(=O)[C@@H]2CCCNC2)C1
InChIInChI=1S/C16H20N2O3/c19-15(12-5-3-7-17-9-12)18-10-13(16(20)21)8-11-4-1-2-6-14(11)18/h1-2,4,6,12-13,17H,3,5,7-10H2,(H,20,21)/t12-,13?/m1/s1
InChIKeyQPILRKGZGSXHJK-PZORYLMUSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(piperidine-4-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106901905
1-(piperidine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565113
(2-methyl-2,3-dihydroindol-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123977
4-[(3S)-piperidine-3-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 81133693
1-(oxane-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902245
[4-(2-hydroxyphenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 81126192
[4-(2-chlorophenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119827676
2-[(3S)-piperidine-3-carbonyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 81133829
1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157417
1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 61160509
1-(3-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106901863
(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-piperidin-3-ylmethanone;dihydrochloride
CID 119893292

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-piperidine-3-carbonyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The IUPAC name of 1-[(3R)-piperidine-3-carbonyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid (CID 106901890) is 1-[(3R)-piperidine-3-carbonyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid.
What is the SMILES notation for 1-[(3R)-piperidine-3-carbonyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The canonical SMILES for 1-[(3R)-piperidine-3-carbonyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid is O=C(O)C1Cc2ccccc2N(C(=O)[C@@H]2CCCNC2)C1.
What is the InChIKey of 1-[(3R)-piperidine-3-carbonyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The InChIKey is QPILRKGZGSXHJK-PZORYLMUSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(12-5-3-7-17-9-12)18-10-13(16(20)21)8-11-4-1-2-6-14(11)18/h1-2,4,6,12-13,17H,3,5,7-10H2,(H,20,21)/t12-,13?/m1/s1.
What are the key properties of 1-[(3R)-piperidine-3-carbonyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid?
1-[(3R)-piperidine-3-carbonyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-piperidine-3-carbonyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid is sourced from PubChem (CID 106901890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).