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

C19H26N2O3 — CID 82073200

IUPAC1-[3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-oxopropyl]piperidine-3-carboxylic acid
SMILESCN1CCCc2cc(C(=O)CCN3CCCC(C(=O)O)C3)ccc21
InChIInChI=1S/C19H26N2O3/c1-20-9-2-4-14-12-15(6-7-17(14)20)18(22)8-11-21-10-3-5-16(13-21)19(23)24/h6-7,12,16H,2-5,8-11,13H2,1H3,(H,23,24)
InChIKeyOECOBZUMNBMEMQ-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.44
Rot. Bonds5

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

1-[3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-oxopropyl]piperidine-3-carboxylic acid (PubChem CID 82073200) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-oxopropyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-oxopropyl]piperidine-3-carboxylic acid
PubChem CID82073200
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-[3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-oxopropyl]piperidine-3-carboxylic acid
SMILESCN1CCCc2cc(C(=O)CCN3CCCC(C(=O)O)C3)ccc21
InChIInChI=1S/C19H26N2O3/c1-20-9-2-4-14-12-15(6-7-17(14)20)18(22)8-11-21-10-3-5-16(13-21)19(23)24/h6-7,12,16H,2-5,8-11,13H2,1H3,(H,23,24)
InChIKeyOECOBZUMNBMEMQ-UHFFFAOYSA-N
XLogP2.44
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-methoxy-3-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid
CID 82064861
1-[2-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]piperidine-3-carboxylic acid
CID 82260406
1-[3-(4-methoxy-2-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid
CID 82073354
N-ethyl-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-3-carboxamide
CID 75472604
4-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrrolidine-3-carboxylic acid
CID 65063198
1-[2-(4-amino-3-methylphenoxy)ethyl]piperidine-3-carboxylic acid
CID 82162790
fluoro 1-methyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 142338422
1-(2-acetamidoethyl)piperidine-3-carboxylic acid
CID 43385924
1-[3-(5-chloro-2-ethoxyphenyl)-3-oxopropyl]piperidine-3-carboxylic acid
CID 82073151
1-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)ethyl]piperidine-3-carboxylic acid
CID 82260391
1-methyl-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 58575703
1-[2-(1-butanoyl-2-methyl-2,3-dihydroindol-5-yl)ethyl]piperidine-3-carboxylic acid
CID 82260393

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-oxopropyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-oxopropyl]piperidine-3-carboxylic acid (CID 82073200) is 1-[3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-oxopropyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-oxopropyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-oxopropyl]piperidine-3-carboxylic acid is CN1CCCc2cc(C(=O)CCN3CCCC(C(=O)O)C3)ccc21.
What is the InChIKey of 1-[3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-oxopropyl]piperidine-3-carboxylic acid?
The InChIKey is OECOBZUMNBMEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-20-9-2-4-14-12-15(6-7-17(14)20)18(22)8-11-21-10-3-5-16(13-21)19(23)24/h6-7,12,16H,2-5,8-11,13H2,1H3,(H,23,24).
What are the key properties of 1-[3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-oxopropyl]piperidine-3-carboxylic acid?
1-[3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-oxopropyl]piperidine-3-carboxylic acid has a molecular weight of 330.43 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-oxopropyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 82073200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).