1-methyl-4-[3-(methylamino)propanoyl]piperazin-2-one

C9H17N3O2 — CID 64681606

IUPAC1-methyl-4-[3-(methylamino)propanoyl]piperazin-2-one
SMILESCNCCC(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C9H17N3O2/c1-10-4-3-8(13)12-6-5-11(2)9(14)7-12/h10H,3-7H2,1-2H3
InChIKeyRCPUINIXXMQVPP-UHFFFAOYSA-N
MW199.25 g/mol
LogP-1.10
Rot. Bonds3

About 1-methyl-4-[3-(methylamino)propanoyl]piperazin-2-one

1-methyl-4-[3-(methylamino)propanoyl]piperazin-2-one (PubChem CID 64681606) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-methyl-4-[3-(methylamino)propanoyl]piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-[3-(methylamino)propanoyl]piperazin-2-one
PubChem CID64681606
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name1-methyl-4-[3-(methylamino)propanoyl]piperazin-2-one
SMILESCNCCC(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C9H17N3O2/c1-10-4-3-8(13)12-6-5-11(2)9(14)7-12/h10H,3-7H2,1-2H3
InChIKeyRCPUINIXXMQVPP-UHFFFAOYSA-N
XLogP-1.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-4-[3-(methylamino)propanoyl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butanoyl-1-methylpiperazin-2-one
CID 64693337
1-methyl-4-propanoylpiperazin-2-one
CID 64693548
1-(4-methyl-3-oxopiperazin-1-yl)butane-1,3-dione
CID 64680135
4-(4-amino-4-methylpentanoyl)-1-methylpiperazin-2-one
CID 64682222
1-methyl-4-(3-sulfanylpropanoyl)-1,4-diazepan-2-one
CID 107036798
1-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 110708045
ethyl 3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropanoate
CID 110476247
4-[3-(2-fluorophenyl)propanoyl]-1-methylpiperazin-2-one
CID 110708111
N-ethyl-4-methyl-3-oxopiperazine-1-carboxamide
CID 89097126
2-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethoxy]acetic acid
CID 64683018
4-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 115643195
ethane;4-methyl-3-oxopiperazine-1-carboxamide
CID 143722944

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(methylamino)propanoyl]piperazin-2-one?
The IUPAC name of 1-methyl-4-[3-(methylamino)propanoyl]piperazin-2-one (CID 64681606) is 1-methyl-4-[3-(methylamino)propanoyl]piperazin-2-one.
What is the SMILES notation for 1-methyl-4-[3-(methylamino)propanoyl]piperazin-2-one?
The canonical SMILES for 1-methyl-4-[3-(methylamino)propanoyl]piperazin-2-one is CNCCC(=O)N1CCN(C)C(=O)C1.
What is the InChIKey of 1-methyl-4-[3-(methylamino)propanoyl]piperazin-2-one?
The InChIKey is RCPUINIXXMQVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-10-4-3-8(13)12-6-5-11(2)9(14)7-12/h10H,3-7H2,1-2H3.
What are the key properties of 1-methyl-4-[3-(methylamino)propanoyl]piperazin-2-one?
1-methyl-4-[3-(methylamino)propanoyl]piperazin-2-one has a molecular weight of 199.25 g/mol, XLogP of -1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(methylamino)propanoyl]piperazin-2-one is sourced from PubChem (CID 64681606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).