4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid

C16H18N2O2 — CID 24892821

IUPAC4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Cc2cnc3ccccc3c2)CC1
InChIInChI=1S/C16H18N2O2/c19-16(20)18-7-5-12(6-8-18)9-13-10-14-3-1-2-4-15(14)17-11-13/h1-4,10-12H,5-9H2,(H,19,20)
InChIKeyQUAGUFNCKDDJFZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.17
Rot. Bonds2

About 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid

4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid (PubChem CID 24892821) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
PubChem CID24892821
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Cc2cnc3ccccc3c2)CC1
InChIInChI=1S/C16H18N2O2/c19-16(20)18-7-5-12(6-8-18)9-13-10-14-3-1-2-4-15(14)17-11-13/h1-4,10-12H,5-9H2,(H,19,20)
InChIKeyQUAGUFNCKDDJFZ-UHFFFAOYSA-N
XLogP3.17
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-oxazol-5-yl-[4-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 118739871
N-(4-methylphenyl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide
CID 158349781
(5-methyl-1,2-oxazol-3-yl)-[4-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 110090567
pyridazin-4-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 110111706
1H-imidazol-5-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 110111486
N-(4-chloro-1,2-oxazol-3-yl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide
CID 46234787
(1-methylimidazol-4-yl)-[4-(quinolin-3-ylmethyl)azepan-1-yl]methanone
CID 110098870
pyrimidin-2-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 110111665
3-(piperidin-4-ylmethyl)quinoline;dihydrochloride
CID 53407804
4-quinolin-3-ylpiperazine-1-carboxylic acid
CID 69402111
(2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124961648
[4-[(2-fluorophenyl)methyl]oxan-4-yl]-[(4S)-4-(quinolin-3-ylmethyl)azepan-1-yl]methanone
CID 129455337

Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid (CID 24892821) is 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid is O=C(O)N1CCC(Cc2cnc3ccccc3c2)CC1.
What is the InChIKey of 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid?
The InChIKey is QUAGUFNCKDDJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-16(20)18-7-5-12(6-8-18)9-13-10-14-3-1-2-4-15(14)17-11-13/h1-4,10-12H,5-9H2,(H,19,20).
What are the key properties of 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid?
4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 24892821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).