1-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoyl]piperidine-3-carboxylic acid

C18H23N3O4 — CID 122089857

IUPAC1-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCN1C(=O)CCc2cc(NC(=O)N3CCCC(C(=O)O)C3)ccc21
InChIInChI=1S/C18H23N3O4/c1-2-21-15-7-6-14(10-12(15)5-8-16(21)22)19-18(25)20-9-3-4-13(11-20)17(23)24/h6-7,10,13H,2-5,8-9,11H2,1H3,(H,19,25)(H,23,24)
InChIKeyDLOHAEZOPXDWTQ-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.31
Rot. Bonds3

About 1-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoyl]piperidine-3-carboxylic acid

1-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122089857) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID122089857
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name1-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCN1C(=O)CCc2cc(NC(=O)N3CCCC(C(=O)O)C3)ccc21
InChIInChI=1S/C18H23N3O4/c1-2-21-15-7-6-14(10-12(15)5-8-16(21)22)19-18(25)20-9-3-4-13(11-20)17(23)24/h6-7,10,13H,2-5,8-9,11H2,1H3,(H,19,25)(H,23,24)
InChIKeyDLOHAEZOPXDWTQ-UHFFFAOYSA-N
XLogP2.31
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoyl]piperidine-3-carboxylic acid with MolForge

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Related Compounds

1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid
CID 119033231
(3S)-3-(diethylamino)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]pyrrolidine-1-carboxamide
CID 99802618
(3S)-1-[(3,4-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512909
1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122074194
(3S)-1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 99639011
1-[(3-propanoylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122087292
1-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122077559
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylpropanamide
CID 20933537
(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512783
2-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]ethene-1,1,2-tricarbonitrile
CID 168608537
1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3-methylphenyl)urea
CID 30376245
1-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-3-carboxylic acid
CID 43318323

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoyl]piperidine-3-carboxylic acid (CID 122089857) is 1-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoyl]piperidine-3-carboxylic acid is CCN1C(=O)CCc2cc(NC(=O)N3CCCC(C(=O)O)C3)ccc21.
What is the InChIKey of 1-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is DLOHAEZOPXDWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-2-21-15-7-6-14(10-12(15)5-8-16(21)22)19-18(25)20-9-3-4-13(11-20)17(23)24/h6-7,10,13H,2-5,8-9,11H2,1H3,(H,19,25)(H,23,24).
What are the key properties of 1-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoyl]piperidine-3-carboxylic acid?
1-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122089857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).