1-[3-[(4-methyl-2-oxo-1H-quinolin-6-yl)oxymethyl]benzoyl]piperidine-4-carboxylic acid

C24H24N2O5 — CID 46229998

IUPAC1-[3-[(4-methyl-2-oxo-1H-quinolin-6-yl)oxymethyl]benzoyl]piperidine-4-carboxylic acid
SMILESCc1cc(=O)[nH]c2ccc(OCc3cccc(C(=O)N4CCC(C(=O)O)CC4)c3)cc12
InChIInChI=1S/C24H24N2O5/c1-15-11-22(27)25-21-6-5-19(13-20(15)21)31-14-16-3-2-4-18(12-16)23(28)26-9-7-17(8-10-26)24(29)30/h2-6,11-13,17H,7-10,14H2,1H3,(H,25,27)(H,29,30)
InChIKeyQQENEVLGZDMOPC-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.35
Rot. Bonds5

About 1-[3-[(4-methyl-2-oxo-1H-quinolin-6-yl)oxymethyl]benzoyl]piperidine-4-carboxylic acid

1-[3-[(4-methyl-2-oxo-1H-quinolin-6-yl)oxymethyl]benzoyl]piperidine-4-carboxylic acid (PubChem CID 46229998) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is 1-[3-[(4-methyl-2-oxo-1H-quinolin-6-yl)oxymethyl]benzoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-[(4-methyl-2-oxo-1H-quinolin-6-yl)oxymethyl]benzoyl]piperidine-4-carboxylic acid
PubChem CID46229998
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name1-[3-[(4-methyl-2-oxo-1H-quinolin-6-yl)oxymethyl]benzoyl]piperidine-4-carboxylic acid
SMILESCc1cc(=O)[nH]c2ccc(OCc3cccc(C(=O)N4CCC(C(=O)O)CC4)c3)cc12
InChIInChI=1S/C24H24N2O5/c1-15-11-22(27)25-21-6-5-19(13-20(15)21)31-14-16-3-2-4-18(12-16)23(28)26-9-7-17(8-10-26)24(29)30/h2-6,11-13,17H,7-10,14H2,1H3,(H,25,27)(H,29,30)
InChIKeyQQENEVLGZDMOPC-UHFFFAOYSA-N
XLogP3.35
TPSA99.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-[[3-(4-oxopiperidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one
CID 46229958
1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxylic acid
CID 119349727
(4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone
CID 25472791
1-[3-(thiophen-2-ylmethoxy)benzoyl]piperidine-4-carboxylic acid
CID 122135504
ethyl 1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
CID 51110016
4-[[3-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]benzonitrile
CID 111425141
1-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperidine-4-carboxylic acid
CID 119166689
[4-(1-aminoethyl)piperidin-1-yl]-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]methanone
CID 119517657
1-[4-(pyridin-4-ylmethoxy)benzoyl]piperidine-4-carboxylic acid
CID 119349671
1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]ethanone
CID 34840464
(3-aminopyrrolidin-1-yl)-[3-[(3-methylphenyl)methoxy]phenyl]methanone
CID 146081197
[4-(cyclopropylmethyl)piperazin-1-yl]-[3-[(3-methylphenyl)methoxy]phenyl]methanone
CID 55890801

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-methyl-2-oxo-1H-quinolin-6-yl)oxymethyl]benzoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-[(4-methyl-2-oxo-1H-quinolin-6-yl)oxymethyl]benzoyl]piperidine-4-carboxylic acid (CID 46229998) is 1-[3-[(4-methyl-2-oxo-1H-quinolin-6-yl)oxymethyl]benzoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-[(4-methyl-2-oxo-1H-quinolin-6-yl)oxymethyl]benzoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-[(4-methyl-2-oxo-1H-quinolin-6-yl)oxymethyl]benzoyl]piperidine-4-carboxylic acid is Cc1cc(=O)[nH]c2ccc(OCc3cccc(C(=O)N4CCC(C(=O)O)CC4)c3)cc12.
What is the InChIKey of 1-[3-[(4-methyl-2-oxo-1H-quinolin-6-yl)oxymethyl]benzoyl]piperidine-4-carboxylic acid?
The InChIKey is QQENEVLGZDMOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-15-11-22(27)25-21-6-5-19(13-20(15)21)31-14-16-3-2-4-18(12-16)23(28)26-9-7-17(8-10-26)24(29)30/h2-6,11-13,17H,7-10,14H2,1H3,(H,25,27)(H,29,30).
What are the key properties of 1-[3-[(4-methyl-2-oxo-1H-quinolin-6-yl)oxymethyl]benzoyl]piperidine-4-carboxylic acid?
1-[3-[(4-methyl-2-oxo-1H-quinolin-6-yl)oxymethyl]benzoyl]piperidine-4-carboxylic acid has a molecular weight of 420.47 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-methyl-2-oxo-1H-quinolin-6-yl)oxymethyl]benzoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 46229998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).