methyl 4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazine-1-carboxylate

C14H18ClN3O4 — CID 51092046

IUPACmethyl 4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazine-1-carboxylate
SMILESCCOc1ccc(Cl)c(C(=O)N2CCN(C(=O)OC)CC2)n1
InChIInChI=1S/C14H18ClN3O4/c1-3-22-11-5-4-10(15)12(16-11)13(19)17-6-8-18(9-7-17)14(20)21-2/h4-5H,3,6-9H2,1-2H3
InChIKeyIKSVNHUYHUYGDP-UHFFFAOYSA-N
MW327.77 g/mol
LogP1.66
Rot. Bonds3

About methyl 4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazine-1-carboxylate

methyl 4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazine-1-carboxylate (PubChem CID 51092046) has the molecular formula C14H18ClN3O4 and a molecular weight of 327.77 g/mol. Its IUPAC name is methyl 4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazine-1-carboxylate
PubChem CID51092046
Molecular FormulaC14H18ClN3O4
Molecular Weight327.77 g/mol
Exact Mass327.10
IUPAC Namemethyl 4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazine-1-carboxylate
SMILESCCOc1ccc(Cl)c(C(=O)N2CCN(C(=O)OC)CC2)n1
InChIInChI=1S/C14H18ClN3O4/c1-3-22-11-5-4-10(15)12(16-11)13(19)17-6-8-18(9-7-17)14(20)21-2/h4-5H,3,6-9H2,1-2H3
InChIKeyIKSVNHUYHUYGDP-UHFFFAOYSA-N
XLogP1.66
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazine-1-carboxylate (CID 51092046) is methyl 4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazine-1-carboxylate is CCOc1ccc(Cl)c(C(=O)N2CCN(C(=O)OC)CC2)n1.
What is the InChIKey of methyl 4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is IKSVNHUYHUYGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O4/c1-3-22-11-5-4-10(15)12(16-11)13(19)17-6-8-18(9-7-17)14(20)21-2/h4-5H,3,6-9H2,1-2H3.
What are the key properties of methyl 4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazine-1-carboxylate?
methyl 4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 327.77 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 51092046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).