ethyl 2-(7-chloro-1,6-naphthyridin-2-yl)-2-piperidin-4-ylacetate

C17H20ClN3O2 — CID 156719479

IUPACethyl 2-(7-chloro-1,6-naphthyridin-2-yl)-2-piperidin-4-ylacetate
SMILESCCOC(=O)C(c1ccc2cnc(Cl)cc2n1)C1CCNCC1
InChIInChI=1S/C17H20ClN3O2/c1-2-23-17(22)16(11-5-7-19-8-6-11)13-4-3-12-10-20-15(18)9-14(12)21-13/h3-4,9-11,16,19H,2,5-8H2,1H3
InChIKeyHXDFVZXAAXIJAX-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.93
Rot. Bonds4

About ethyl 2-(7-chloro-1,6-naphthyridin-2-yl)-2-piperidin-4-ylacetate

ethyl 2-(7-chloro-1,6-naphthyridin-2-yl)-2-piperidin-4-ylacetate (PubChem CID 156719479) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is ethyl 2-(7-chloro-1,6-naphthyridin-2-yl)-2-piperidin-4-ylacetate.

Molecular Properties

Compound Nameethyl 2-(7-chloro-1,6-naphthyridin-2-yl)-2-piperidin-4-ylacetate
PubChem CID156719479
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Nameethyl 2-(7-chloro-1,6-naphthyridin-2-yl)-2-piperidin-4-ylacetate
SMILESCCOC(=O)C(c1ccc2cnc(Cl)cc2n1)C1CCNCC1
InChIInChI=1S/C17H20ClN3O2/c1-2-23-17(22)16(11-5-7-19-8-6-11)13-4-3-12-10-20-15(18)9-14(12)21-13/h3-4,9-11,16,19H,2,5-8H2,1H3
InChIKeyHXDFVZXAAXIJAX-UHFFFAOYSA-N
XLogP2.93
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 ethyl 2-(7-chloro-1,6-naphthyridin-2-yl)-2-piperidin-4-ylacetate?
The IUPAC name of ethyl 2-(7-chloro-1,6-naphthyridin-2-yl)-2-piperidin-4-ylacetate (CID 156719479) is ethyl 2-(7-chloro-1,6-naphthyridin-2-yl)-2-piperidin-4-ylacetate.
What is the SMILES notation for ethyl 2-(7-chloro-1,6-naphthyridin-2-yl)-2-piperidin-4-ylacetate?
The canonical SMILES for ethyl 2-(7-chloro-1,6-naphthyridin-2-yl)-2-piperidin-4-ylacetate is CCOC(=O)C(c1ccc2cnc(Cl)cc2n1)C1CCNCC1.
What is the InChIKey of ethyl 2-(7-chloro-1,6-naphthyridin-2-yl)-2-piperidin-4-ylacetate?
The InChIKey is HXDFVZXAAXIJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-2-23-17(22)16(11-5-7-19-8-6-11)13-4-3-12-10-20-15(18)9-14(12)21-13/h3-4,9-11,16,19H,2,5-8H2,1H3.
What are the key properties of ethyl 2-(7-chloro-1,6-naphthyridin-2-yl)-2-piperidin-4-ylacetate?
ethyl 2-(7-chloro-1,6-naphthyridin-2-yl)-2-piperidin-4-ylacetate has a molecular weight of 333.82 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-chloro-1,6-naphthyridin-2-yl)-2-piperidin-4-ylacetate is sourced from PubChem (CID 156719479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).