(3-chloro-6-ethoxy-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C14H20ClN3O3 — CID 71937748

IUPAC(3-chloro-6-ethoxy-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESCCOc1ccc(Cl)c(C(=O)N2CCN(CCO)CC2)n1
InChIInChI=1S/C14H20ClN3O3/c1-2-21-12-4-3-11(15)13(16-12)14(20)18-7-5-17(6-8-18)9-10-19/h3-4,19H,2,5-10H2,1H3
InChIKeyHGMGQDUOIDXGJI-UHFFFAOYSA-N
MW313.79 g/mol
LogP0.88
Rot. Bonds5

About (3-chloro-6-ethoxy-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

(3-chloro-6-ethoxy-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 71937748) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is (3-chloro-6-ethoxy-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-6-ethoxy-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID71937748
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC Name(3-chloro-6-ethoxy-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESCCOc1ccc(Cl)c(C(=O)N2CCN(CCO)CC2)n1
InChIInChI=1S/C14H20ClN3O3/c1-2-21-12-4-3-11(15)13(16-12)14(20)18-7-5-17(6-8-18)9-10-19/h3-4,19H,2,5-10H2,1H3
InChIKeyHGMGQDUOIDXGJI-UHFFFAOYSA-N
XLogP0.88
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-ethoxy-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (3-chloro-6-ethoxy-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 71937748) is (3-chloro-6-ethoxy-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-chloro-6-ethoxy-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-chloro-6-ethoxy-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is CCOc1ccc(Cl)c(C(=O)N2CCN(CCO)CC2)n1.
What is the InChIKey of (3-chloro-6-ethoxy-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is HGMGQDUOIDXGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c1-2-21-12-4-3-11(15)13(16-12)14(20)18-7-5-17(6-8-18)9-10-19/h3-4,19H,2,5-10H2,1H3.
What are the key properties of (3-chloro-6-ethoxy-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
(3-chloro-6-ethoxy-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 313.79 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-ethoxy-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71937748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).