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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Related Compounds

4-[[(2S)-2-amino-3-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]propanoyl]amino]benzoic acid
CID 163394557
1-methyl-4-[3-(2-oxopropyl)phenyl]piperazine-2,5-dione
CID 117404685
4-methyl-1-[3-(piperidin-2-ylmethyl)phenyl]piperazin-2-one
CID 117464076
2-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide
CID 119289931
1-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-4-methylpiperazin-2-one
CID 117459711
1-methyl-4-[3-(2-oxopropyl)phenyl]piperazine-2,3-dione
CID 117404686
(2R)-2-amino-3-(3-fluorophenyl)propanamide
CID 102314592
4-[(2S)-2-amino-3-phenylpropanoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one;hydrochloride
CID 119329138
1-[3-(2-hydroxypropyl)phenyl]piperazin-2-one
CID 117340740
2-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]propanoic acid
CID 117410747
methyl 2-amino-3-(3-piperazin-1-ylphenyl)propanoate
CID 170883739
1-[3-[(hydroxyamino)methyl]phenyl]-4-methylpiperazine-2,5-dione
CID 117375814

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).