[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 6-chloropyridine-3-carboxylate

C14H17ClN2O3 — CID 2355374

IUPAC[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 6-chloropyridine-3-carboxylate
SMILESCC1CCN(C(=O)COC(=O)c2ccc(Cl)nc2)CC1
InChIInChI=1S/C14H17ClN2O3/c1-10-4-6-17(7-5-10)13(18)9-20-14(19)11-2-3-12(15)16-8-11/h2-3,8,10H,4-7,9H2,1H3
InChIKeyJTHTUBFHCHDPBD-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.15
Rot. Bonds3

About [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 6-chloropyridine-3-carboxylate

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 6-chloropyridine-3-carboxylate (PubChem CID 2355374) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 6-chloropyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 6-chloropyridine-3-carboxylate
PubChem CID2355374
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 6-chloropyridine-3-carboxylate
SMILESCC1CCN(C(=O)COC(=O)c2ccc(Cl)nc2)CC1
InChIInChI=1S/C14H17ClN2O3/c1-10-4-6-17(7-5-10)13(18)9-20-14(19)11-2-3-12(15)16-8-11/h2-3,8,10H,4-7,9H2,1H3
InChIKeyJTHTUBFHCHDPBD-UHFFFAOYSA-N
XLogP2.15
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 6-chloropyridine-3-carboxylate?
The IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 6-chloropyridine-3-carboxylate (CID 2355374) is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 6-chloropyridine-3-carboxylate.
What is the SMILES notation for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 6-chloropyridine-3-carboxylate?
The canonical SMILES for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 6-chloropyridine-3-carboxylate is CC1CCN(C(=O)COC(=O)c2ccc(Cl)nc2)CC1.
What is the InChIKey of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 6-chloropyridine-3-carboxylate?
The InChIKey is JTHTUBFHCHDPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-10-4-6-17(7-5-10)13(18)9-20-14(19)11-2-3-12(15)16-8-11/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 6-chloropyridine-3-carboxylate?
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 6-chloropyridine-3-carboxylate has a molecular weight of 296.75 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 6-chloropyridine-3-carboxylate is sourced from PubChem (CID 2355374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).