2-amino-3-[3-(4-methyl-2-oxopiperazin-1-yl)phenyl]propanamide

C14H20N4O2 — CID 175395530

IUPAC2-amino-3-[3-(4-methyl-2-oxopiperazin-1-yl)phenyl]propanamide
SMILESCN1CCN(c2cccc(CC(N)C(N)=O)c2)C(=O)C1
InChIInChI=1S/C14H20N4O2/c1-17-5-6-18(13(19)9-17)11-4-2-3-10(7-11)8-12(15)14(16)20/h2-4,7,12H,5-6,8-9,15H2,1H3,(H2,16,20)
InChIKeyKPINZCKBNQKJGV-UHFFFAOYSA-N
MW276.34 g/mol
LogP-0.68
Rot. Bonds4

About 2-amino-3-[3-(4-methyl-2-oxopiperazin-1-yl)phenyl]propanamide

2-amino-3-[3-(4-methyl-2-oxopiperazin-1-yl)phenyl]propanamide (PubChem CID 175395530) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-amino-3-[3-(4-methyl-2-oxopiperazin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-3-[3-(4-methyl-2-oxopiperazin-1-yl)phenyl]propanamide
PubChem CID175395530
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-amino-3-[3-(4-methyl-2-oxopiperazin-1-yl)phenyl]propanamide
SMILESCN1CCN(c2cccc(CC(N)C(N)=O)c2)C(=O)C1
InChIInChI=1S/C14H20N4O2/c1-17-5-6-18(13(19)9-17)11-4-2-3-10(7-11)8-12(15)14(16)20/h2-4,7,12H,5-6,8-9,15H2,1H3,(H2,16,20)
InChIKeyKPINZCKBNQKJGV-UHFFFAOYSA-N
XLogP-0.68
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-(4-methyl-2-oxopiperazin-1-yl)phenyl]propanamide?
The IUPAC name of 2-amino-3-[3-(4-methyl-2-oxopiperazin-1-yl)phenyl]propanamide (CID 175395530) is 2-amino-3-[3-(4-methyl-2-oxopiperazin-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-amino-3-[3-(4-methyl-2-oxopiperazin-1-yl)phenyl]propanamide?
The canonical SMILES for 2-amino-3-[3-(4-methyl-2-oxopiperazin-1-yl)phenyl]propanamide is CN1CCN(c2cccc(CC(N)C(N)=O)c2)C(=O)C1.
What is the InChIKey of 2-amino-3-[3-(4-methyl-2-oxopiperazin-1-yl)phenyl]propanamide?
The InChIKey is KPINZCKBNQKJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-17-5-6-18(13(19)9-17)11-4-2-3-10(7-11)8-12(15)14(16)20/h2-4,7,12H,5-6,8-9,15H2,1H3,(H2,16,20).
What are the key properties of 2-amino-3-[3-(4-methyl-2-oxopiperazin-1-yl)phenyl]propanamide?
2-amino-3-[3-(4-methyl-2-oxopiperazin-1-yl)phenyl]propanamide has a molecular weight of 276.34 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-(4-methyl-2-oxopiperazin-1-yl)phenyl]propanamide is sourced from PubChem (CID 175395530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).