(6S)-4-[5-chloro-6-(2-methylpropoxy)pyridine-3-carbonyl]-6-methylpiperazin-2-one

C15H20ClN3O3 — CID 164634927

IUPAC(6S)-4-[5-chloro-6-(2-methylpropoxy)pyridine-3-carbonyl]-6-methylpiperazin-2-one
SMILESCC(C)COc1ncc(C(=O)N2CC(=O)N[C@@H](C)C2)cc1Cl
InChIInChI=1S/C15H20ClN3O3/c1-9(2)8-22-14-12(16)4-11(5-17-14)15(21)19-6-10(3)18-13(20)7-19/h4-5,9-10H,6-8H2,1-3H3,(H,18,20)/t10-/m0/s1
InChIKeyOHJSZOHZJPTIRI-JTQLQIEISA-N
MW325.80 g/mol
LogP1.73
Rot. Bonds4

About (6S)-4-[5-chloro-6-(2-methylpropoxy)pyridine-3-carbonyl]-6-methylpiperazin-2-one

(6S)-4-[5-chloro-6-(2-methylpropoxy)pyridine-3-carbonyl]-6-methylpiperazin-2-one (PubChem CID 164634927) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is (6S)-4-[5-chloro-6-(2-methylpropoxy)pyridine-3-carbonyl]-6-methylpiperazin-2-one.

Molecular Properties

Compound Name(6S)-4-[5-chloro-6-(2-methylpropoxy)pyridine-3-carbonyl]-6-methylpiperazin-2-one
PubChem CID164634927
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC Name(6S)-4-[5-chloro-6-(2-methylpropoxy)pyridine-3-carbonyl]-6-methylpiperazin-2-one
SMILESCC(C)COc1ncc(C(=O)N2CC(=O)N[C@@H](C)C2)cc1Cl
InChIInChI=1S/C15H20ClN3O3/c1-9(2)8-22-14-12(16)4-11(5-17-14)15(21)19-6-10(3)18-13(20)7-19/h4-5,9-10H,6-8H2,1-3H3,(H,18,20)/t10-/m0/s1
InChIKeyOHJSZOHZJPTIRI-JTQLQIEISA-N
XLogP1.73
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-4-[5-chloro-6-(2-methylpropoxy)pyridine-3-carbonyl]-6-methylpiperazin-2-one?
The IUPAC name of (6S)-4-[5-chloro-6-(2-methylpropoxy)pyridine-3-carbonyl]-6-methylpiperazin-2-one (CID 164634927) is (6S)-4-[5-chloro-6-(2-methylpropoxy)pyridine-3-carbonyl]-6-methylpiperazin-2-one.
What is the SMILES notation for (6S)-4-[5-chloro-6-(2-methylpropoxy)pyridine-3-carbonyl]-6-methylpiperazin-2-one?
The canonical SMILES for (6S)-4-[5-chloro-6-(2-methylpropoxy)pyridine-3-carbonyl]-6-methylpiperazin-2-one is CC(C)COc1ncc(C(=O)N2CC(=O)N[C@@H](C)C2)cc1Cl.
What is the InChIKey of (6S)-4-[5-chloro-6-(2-methylpropoxy)pyridine-3-carbonyl]-6-methylpiperazin-2-one?
The InChIKey is OHJSZOHZJPTIRI-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20ClN3O3/c1-9(2)8-22-14-12(16)4-11(5-17-14)15(21)19-6-10(3)18-13(20)7-19/h4-5,9-10H,6-8H2,1-3H3,(H,18,20)/t10-/m0/s1.
What are the key properties of (6S)-4-[5-chloro-6-(2-methylpropoxy)pyridine-3-carbonyl]-6-methylpiperazin-2-one?
(6S)-4-[5-chloro-6-(2-methylpropoxy)pyridine-3-carbonyl]-6-methylpiperazin-2-one has a molecular weight of 325.80 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-[5-chloro-6-(2-methylpropoxy)pyridine-3-carbonyl]-6-methylpiperazin-2-one is sourced from PubChem (CID 164634927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).