4-[(2-amino-6-chlorophenyl)methyl]-1-methylpiperazin-2-one

C12H16ClN3O — CID 64682155

IUPAC4-[(2-amino-6-chlorophenyl)methyl]-1-methylpiperazin-2-one
SMILESCN1CCN(Cc2c(N)cccc2Cl)CC1=O
InChIInChI=1S/C12H16ClN3O/c1-15-5-6-16(8-12(15)17)7-9-10(13)3-2-4-11(9)14/h2-4H,5-8,14H2,1H3
InChIKeyLZUJATXYYVITKJ-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.20
Rot. Bonds2

About 4-[(2-amino-6-chlorophenyl)methyl]-1-methylpiperazin-2-one

4-[(2-amino-6-chlorophenyl)methyl]-1-methylpiperazin-2-one (PubChem CID 64682155) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 4-[(2-amino-6-chlorophenyl)methyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[(2-amino-6-chlorophenyl)methyl]-1-methylpiperazin-2-one
PubChem CID64682155
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name4-[(2-amino-6-chlorophenyl)methyl]-1-methylpiperazin-2-one
SMILESCN1CCN(Cc2c(N)cccc2Cl)CC1=O
InChIInChI=1S/C12H16ClN3O/c1-15-5-6-16(8-12(15)17)7-9-10(13)3-2-4-11(9)14/h2-4H,5-8,14H2,1H3
InChIKeyLZUJATXYYVITKJ-UHFFFAOYSA-N
XLogP1.20
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-[(4-ethylpiperazin-1-yl)methyl]aniline
CID 63745580
4-[(4-iodophenyl)methyl]-1-methylpiperazin-2-one
CID 65490515
4-[(2-amino-6-chlorophenyl)methyl]morpholin-3-one
CID 79468371
4-[(2,6-dichlorophenyl)methyl]piperazin-2-one
CID 8962883
3-[(2-amino-6-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 63745600
3-chloro-2-(1,4-oxazepan-4-ylmethyl)aniline
CID 63745239
3-chloro-2-[(2-methylmorpholin-4-yl)methyl]aniline
CID 63747624
3-chloro-2-[(3-ethylpiperidin-1-yl)methyl]aniline
CID 63745585
N-(2-amino-6-methylphenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide
CID 64680059
1-[(2-amino-6-chlorophenyl)methyl]piperidine-3-carboxamide
CID 63745227
3-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzenecarbothioamide
CID 64696100
3-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzoic acid
CID 64693242

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-6-chlorophenyl)methyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[(2-amino-6-chlorophenyl)methyl]-1-methylpiperazin-2-one (CID 64682155) is 4-[(2-amino-6-chlorophenyl)methyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[(2-amino-6-chlorophenyl)methyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[(2-amino-6-chlorophenyl)methyl]-1-methylpiperazin-2-one is CN1CCN(Cc2c(N)cccc2Cl)CC1=O.
What is the InChIKey of 4-[(2-amino-6-chlorophenyl)methyl]-1-methylpiperazin-2-one?
The InChIKey is LZUJATXYYVITKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-15-5-6-16(8-12(15)17)7-9-10(13)3-2-4-11(9)14/h2-4H,5-8,14H2,1H3.
What are the key properties of 4-[(2-amino-6-chlorophenyl)methyl]-1-methylpiperazin-2-one?
4-[(2-amino-6-chlorophenyl)methyl]-1-methylpiperazin-2-one has a molecular weight of 253.73 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-6-chlorophenyl)methyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 64682155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).