1-[2-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]piperidine-3-carboxylic acid

C20H28N2O3 — CID 82260406

IUPAC1-[2-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]piperidine-3-carboxylic acid
SMILESCCC(=O)N1CCCc2cc(CCN3CCCC(C(=O)O)C3)ccc21
InChIInChI=1S/C20H28N2O3/c1-2-19(23)22-11-4-5-16-13-15(7-8-18(16)22)9-12-21-10-3-6-17(14-21)20(24)25/h7-8,13,17H,2-6,9-12,14H2,1H3,(H,24,25)
InChIKeyUSTBTQIRLYRAJC-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.71
Rot. Bonds5

About 1-[2-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]piperidine-3-carboxylic acid

1-[2-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]piperidine-3-carboxylic acid (PubChem CID 82260406) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[2-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]piperidine-3-carboxylic acid
PubChem CID82260406
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name1-[2-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]piperidine-3-carboxylic acid
SMILESCCC(=O)N1CCCc2cc(CCN3CCCC(C(=O)O)C3)ccc21
InChIInChI=1S/C20H28N2O3/c1-2-19(23)22-11-4-5-16-13-15(7-8-18(16)22)9-12-21-10-3-6-17(14-21)20(24)25/h7-8,13,17H,2-6,9-12,14H2,1H3,(H,24,25)
InChIKeyUSTBTQIRLYRAJC-UHFFFAOYSA-N
XLogP2.71
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)ethyl]piperidine-3-carboxylic acid
CID 82260391
1-[2-(1-butanoyl-2-methyl-2,3-dihydroindol-5-yl)ethyl]piperidine-3-carboxylic acid
CID 82260393
1-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperidine-3-carboxylic acid
CID 82255755
1-[2-(4-methylphenyl)ethyl]piperidine-3-carboxylic acid
CID 82255457
1-[2-[1-(4-butylcyclohexanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]ethyl]piperidine-3-carboxylic acid
CID 82260403
1-[2-(1-pentanoyl-2,3-dihydroindol-5-yl)ethyl]piperidine-4-carboxylic acid
CID 82260327
1-[6-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
CID 95414968
1-[3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-oxopropyl]piperidine-3-carboxylic acid
CID 82073200
1-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 82255469
(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 93048464
1-[2-(3-amino-4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 82256028
1-[6-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 82260237

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]piperidine-3-carboxylic acid (CID 82260406) is 1-[2-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]piperidine-3-carboxylic acid is CCC(=O)N1CCCc2cc(CCN3CCCC(C(=O)O)C3)ccc21.
What is the InChIKey of 1-[2-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]piperidine-3-carboxylic acid?
The InChIKey is USTBTQIRLYRAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-2-19(23)22-11-4-5-16-13-15(7-8-18(16)22)9-12-21-10-3-6-17(14-21)20(24)25/h7-8,13,17H,2-6,9-12,14H2,1H3,(H,24,25).
What are the key properties of 1-[2-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]piperidine-3-carboxylic acid?
1-[2-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]piperidine-3-carboxylic acid has a molecular weight of 344.46 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 82260406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).