methyl 6-piperidin-1-ylquinoline-2-carboxylate

C16H18N2O2 — CID 82247475

IUPACmethyl 6-piperidin-1-ylquinoline-2-carboxylate
SMILESCOC(=O)c1ccc2cc(N3CCCCC3)ccc2n1
InChIInChI=1S/C16H18N2O2/c1-20-16(19)15-7-5-12-11-13(6-8-14(12)17-15)18-9-3-2-4-10-18/h5-8,11H,2-4,9-10H2,1H3
InChIKeyMVCRXMOTSHOUDP-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.01
Rot. Bonds2

About methyl 6-piperidin-1-ylquinoline-2-carboxylate

methyl 6-piperidin-1-ylquinoline-2-carboxylate (PubChem CID 82247475) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 6-piperidin-1-ylquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-piperidin-1-ylquinoline-2-carboxylate
PubChem CID82247475
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Namemethyl 6-piperidin-1-ylquinoline-2-carboxylate
SMILESCOC(=O)c1ccc2cc(N3CCCCC3)ccc2n1
InChIInChI=1S/C16H18N2O2/c1-20-16(19)15-7-5-12-11-13(6-8-14(12)17-15)18-9-3-2-4-10-18/h5-8,11H,2-4,9-10H2,1H3
InChIKeyMVCRXMOTSHOUDP-UHFFFAOYSA-N
XLogP3.01
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-pyrrolidin-1-ylquinoline-2-carboxylic acid
CID 82243885
dimethyl 4-pyrrolidin-1-ylpyridine-2,6-dicarboxylate
CID 138673928
2-methyl-6-piperidin-1-ylquinoline
CID 82242491
2-(6-pyrrolidin-1-ylquinolin-2-yl)acetic acid
CID 82245506
methyl 6-acetyloxyquinoline-2-carboxylate
CID 90723488
methyl 6-(trifluoromethyl)quinoline-2-carboxylate
CID 82245392
methyl 1-(4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxylate
CID 168512721
methyl 2-methyl-4-(4-piperidin-1-ylanilino)quinoline-6-carboxylate
CID 23854503
methyl 2-oxo-7-pyrrolidin-1-ylchromene-3-carboxylate
CID 139267053
methyl 5-[[6-(azetidin-1-yl)quinolin-4-yl]amino]pyridine-2-carboxylate
CID 157044241
ethane;methyl 2-methylsulfonyl-4-piperidin-1-ylbenzoate;propane
CID 145014951
methyl 1-methyl-5-pyrrolidin-1-ylindazole-3-carboxylate
CID 168515151

Frequently Asked Questions

What is the IUPAC name of methyl 6-piperidin-1-ylquinoline-2-carboxylate?
The IUPAC name of methyl 6-piperidin-1-ylquinoline-2-carboxylate (CID 82247475) is methyl 6-piperidin-1-ylquinoline-2-carboxylate.
What is the SMILES notation for methyl 6-piperidin-1-ylquinoline-2-carboxylate?
The canonical SMILES for methyl 6-piperidin-1-ylquinoline-2-carboxylate is COC(=O)c1ccc2cc(N3CCCCC3)ccc2n1.
What is the InChIKey of methyl 6-piperidin-1-ylquinoline-2-carboxylate?
The InChIKey is MVCRXMOTSHOUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-20-16(19)15-7-5-12-11-13(6-8-14(12)17-15)18-9-3-2-4-10-18/h5-8,11H,2-4,9-10H2,1H3.
What are the key properties of methyl 6-piperidin-1-ylquinoline-2-carboxylate?
methyl 6-piperidin-1-ylquinoline-2-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-piperidin-1-ylquinoline-2-carboxylate is sourced from PubChem (CID 82247475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).