6-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione

C15H21N3O3 — CID 64969999

IUPAC6-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1Cc1ccnc(OC)c1
InChIInChI=1S/C15H21N3O3/c1-5-11-13(19)17-15(2,3)14(20)18(11)9-10-6-7-16-12(8-10)21-4/h6-8,11H,5,9H2,1-4H3,(H,17,19)
InChIKeyBYOZMPJMDRIFBN-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.11
Rot. Bonds4

About 6-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione

6-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione (PubChem CID 64969999) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 6-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione
PubChem CID64969999
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name6-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1Cc1ccnc(OC)c1
InChIInChI=1S/C15H21N3O3/c1-5-11-13(19)17-15(2,3)14(20)18(11)9-10-6-7-16-12(8-10)21-4/h6-8,11H,5,9H2,1-4H3,(H,17,19)
InChIKeyBYOZMPJMDRIFBN-UHFFFAOYSA-N
XLogP1.11
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione (CID 64969999) is 6-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione is CCC1C(=O)NC(C)(C)C(=O)N1Cc1ccnc(OC)c1.
What is the InChIKey of 6-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is BYOZMPJMDRIFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-5-11-13(19)17-15(2,3)14(20)18(11)9-10-6-7-16-12(8-10)21-4/h6-8,11H,5,9H2,1-4H3,(H,17,19).
What are the key properties of 6-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione?
6-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 291.35 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64969999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).