1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid

C16H18N2O2 — CID 43440675

IUPAC1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(Cc2cccc3cccnc23)C1
InChIInChI=1S/C16H18N2O2/c19-16(20)14-7-3-9-18(11-14)10-13-5-1-4-12-6-2-8-17-15(12)13/h1-2,4-6,8,14H,3,7,9-11H2,(H,19,20)
InChIKeyOVPRWFSDVQAEBS-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.53
Rot. Bonds3

About 1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid

1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid (PubChem CID 43440675) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid
PubChem CID43440675
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(Cc2cccc3cccnc23)C1
InChIInChI=1S/C16H18N2O2/c19-16(20)14-7-3-9-18(11-14)10-13-5-1-4-12-6-2-8-17-15(12)13/h1-2,4-6,8,14H,3,7,9-11H2,(H,19,20)
InChIKeyOVPRWFSDVQAEBS-UHFFFAOYSA-N
XLogP2.53
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031197
1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanone
CID 63845455
1-[(2-cyano-3-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 62893250
(3,4-dimethoxyphenyl)-[1-(quinolin-8-ylmethyl)piperidin-3-yl]methanone
CID 45238376
(3S)-1-(isoquinolin-5-ylmethyl)piperidine-3-carboxylic acid
CID 125437616
2-phenyl-1-[3-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 55616121
8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)quinoline
CID 78945122
N-methyl-1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanamine
CID 63854973
N-[(2-chlorophenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide
CID 45192488
1-[(2-carbamoylphenyl)methyl]piperidine-3-carboxylic acid
CID 43440689
1-[(6-amino-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 18771697
1-(quinolin-8-ylmethyl)piperidine-4-carbaldehyde
CID 62654466

Frequently Asked Questions

What is the IUPAC name of 1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid (CID 43440675) is 1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(Cc2cccc3cccnc23)C1.
What is the InChIKey of 1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid?
The InChIKey is OVPRWFSDVQAEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-16(20)14-7-3-9-18(11-14)10-13-5-1-4-12-6-2-8-17-15(12)13/h1-2,4-6,8,14H,3,7,9-11H2,(H,19,20).
What are the key properties of 1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid?
1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 43440675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).