methyl 6-[[(2S)-2-ethyl-3-oxopiperazin-1-yl]methyl]pyridine-2-carboxylate

C14H19N3O3 — CID 164634412

IUPACmethyl 6-[[(2S)-2-ethyl-3-oxopiperazin-1-yl]methyl]pyridine-2-carboxylate
SMILESCC[C@H]1C(=O)NCCN1Cc1cccc(C(=O)OC)n1
InChIInChI=1S/C14H19N3O3/c1-3-12-13(18)15-7-8-17(12)9-10-5-4-6-11(16-10)14(19)20-2/h4-6,12H,3,7-9H2,1-2H3,(H,15,18)/t12-/m0/s1
InChIKeyXONVXRXTBKIJAV-LBPRGKRZSA-N
MW277.32 g/mol
LogP0.58
Rot. Bonds4

About methyl 6-[[(2S)-2-ethyl-3-oxopiperazin-1-yl]methyl]pyridine-2-carboxylate

methyl 6-[[(2S)-2-ethyl-3-oxopiperazin-1-yl]methyl]pyridine-2-carboxylate (PubChem CID 164634412) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 6-[[(2S)-2-ethyl-3-oxopiperazin-1-yl]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[(2S)-2-ethyl-3-oxopiperazin-1-yl]methyl]pyridine-2-carboxylate
PubChem CID164634412
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namemethyl 6-[[(2S)-2-ethyl-3-oxopiperazin-1-yl]methyl]pyridine-2-carboxylate
SMILESCC[C@H]1C(=O)NCCN1Cc1cccc(C(=O)OC)n1
InChIInChI=1S/C14H19N3O3/c1-3-12-13(18)15-7-8-17(12)9-10-5-4-6-11(16-10)14(19)20-2/h4-6,12H,3,7-9H2,1-2H3,(H,15,18)/t12-/m0/s1
InChIKeyXONVXRXTBKIJAV-LBPRGKRZSA-N
XLogP0.58
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[(2S)-2-ethyl-3-oxopiperazin-1-yl]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[(2S)-2-ethyl-3-oxopiperazin-1-yl]methyl]pyridine-2-carboxylate (CID 164634412) is methyl 6-[[(2S)-2-ethyl-3-oxopiperazin-1-yl]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[(2S)-2-ethyl-3-oxopiperazin-1-yl]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[(2S)-2-ethyl-3-oxopiperazin-1-yl]methyl]pyridine-2-carboxylate is CC[C@H]1C(=O)NCCN1Cc1cccc(C(=O)OC)n1.
What is the InChIKey of methyl 6-[[(2S)-2-ethyl-3-oxopiperazin-1-yl]methyl]pyridine-2-carboxylate?
The InChIKey is XONVXRXTBKIJAV-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-12-13(18)15-7-8-17(12)9-10-5-4-6-11(16-10)14(19)20-2/h4-6,12H,3,7-9H2,1-2H3,(H,15,18)/t12-/m0/s1.
What are the key properties of methyl 6-[[(2S)-2-ethyl-3-oxopiperazin-1-yl]methyl]pyridine-2-carboxylate?
methyl 6-[[(2S)-2-ethyl-3-oxopiperazin-1-yl]methyl]pyridine-2-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[(2S)-2-ethyl-3-oxopiperazin-1-yl]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 164634412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).