1-methyl-4-[4-[2-(methylamino)ethyl]phenyl]piperazin-2-one

C14H21N3O — CID 117371591

IUPAC1-methyl-4-[4-[2-(methylamino)ethyl]phenyl]piperazin-2-one
SMILESCNCCc1ccc(N2CCN(C)C(=O)C2)cc1
InChIInChI=1S/C14H21N3O/c1-15-8-7-12-3-5-13(6-4-12)17-10-9-16(2)14(18)11-17/h3-6,15H,7-11H2,1-2H3
InChIKeyZWDWEDODYPLIQU-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.73
Rot. Bonds4

About 1-methyl-4-[4-[2-(methylamino)ethyl]phenyl]piperazin-2-one

1-methyl-4-[4-[2-(methylamino)ethyl]phenyl]piperazin-2-one (PubChem CID 117371591) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-methyl-4-[4-[2-(methylamino)ethyl]phenyl]piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-[4-[2-(methylamino)ethyl]phenyl]piperazin-2-one
PubChem CID117371591
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-methyl-4-[4-[2-(methylamino)ethyl]phenyl]piperazin-2-one
SMILESCNCCc1ccc(N2CCN(C)C(=O)C2)cc1
InChIInChI=1S/C14H21N3O/c1-15-8-7-12-3-5-13(6-4-12)17-10-9-16(2)14(18)11-17/h3-6,15H,7-11H2,1-2H3
InChIKeyZWDWEDODYPLIQU-UHFFFAOYSA-N
XLogP0.73
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[4-(2-hydroxyethyl)phenyl]-1-methylpiperazin-2-one
CID 117340746
3-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]propanal
CID 117368103
4-[4-[(dimethylamino)methyl]phenyl]-1-methylpiperazin-2-one
CID 171624506
4-[4-(aminooxymethyl)phenyl]-1-methylpiperazin-2-one
CID 117342549
N-methyl-2-(4-morpholin-4-ylphenyl)ethanamine
CID 82616430
N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]formamide
CID 130280941
4-(4-methyl-3-oxopiperazin-1-yl)benzonitrile
CID 64681400
4-[4-[(1S)-1-aminoethyl]phenyl]-1-methylpiperazin-2-one
CID 78997047
4-[4-(1-aminoethyl)phenyl]-1-methylpiperazin-2-one
CID 64693857
4-[4-[(cyclopropylamino)methyl]phenyl]-1-methyl-1,4-diazepan-2-one
CID 102889713
3-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]butanal
CID 117405171
1-methyl-4-(4-pyrrolidin-2-ylphenyl)piperazin-2-one
CID 117402552

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[2-(methylamino)ethyl]phenyl]piperazin-2-one?
The IUPAC name of 1-methyl-4-[4-[2-(methylamino)ethyl]phenyl]piperazin-2-one (CID 117371591) is 1-methyl-4-[4-[2-(methylamino)ethyl]phenyl]piperazin-2-one.
What is the SMILES notation for 1-methyl-4-[4-[2-(methylamino)ethyl]phenyl]piperazin-2-one?
The canonical SMILES for 1-methyl-4-[4-[2-(methylamino)ethyl]phenyl]piperazin-2-one is CNCCc1ccc(N2CCN(C)C(=O)C2)cc1.
What is the InChIKey of 1-methyl-4-[4-[2-(methylamino)ethyl]phenyl]piperazin-2-one?
The InChIKey is ZWDWEDODYPLIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-15-8-7-12-3-5-13(6-4-12)17-10-9-16(2)14(18)11-17/h3-6,15H,7-11H2,1-2H3.
What are the key properties of 1-methyl-4-[4-[2-(methylamino)ethyl]phenyl]piperazin-2-one?
1-methyl-4-[4-[2-(methylamino)ethyl]phenyl]piperazin-2-one has a molecular weight of 247.34 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[2-(methylamino)ethyl]phenyl]piperazin-2-one is sourced from PubChem (CID 117371591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).