4-[(4-iodophenyl)methyl]-1-methylpiperazin-2-one

C12H15IN2O — CID 65490515

IUPAC4-[(4-iodophenyl)methyl]-1-methylpiperazin-2-one
SMILESCN1CCN(Cc2ccc(I)cc2)CC1=O
InChIInChI=1S/C12H15IN2O/c1-14-6-7-15(9-12(14)16)8-10-2-4-11(13)5-3-10/h2-5H,6-9H2,1H3
InChIKeyMUMVJOMVOMJAKZ-UHFFFAOYSA-N
MW330.17 g/mol
LogP1.57
Rot. Bonds2

About 4-[(4-iodophenyl)methyl]-1-methylpiperazin-2-one

4-[(4-iodophenyl)methyl]-1-methylpiperazin-2-one (PubChem CID 65490515) has the molecular formula C12H15IN2O and a molecular weight of 330.17 g/mol. Its IUPAC name is 4-[(4-iodophenyl)methyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[(4-iodophenyl)methyl]-1-methylpiperazin-2-one
PubChem CID65490515
Molecular FormulaC12H15IN2O
Molecular Weight330.17 g/mol
Exact Mass330.02
IUPAC Name4-[(4-iodophenyl)methyl]-1-methylpiperazin-2-one
SMILESCN1CCN(Cc2ccc(I)cc2)CC1=O
InChIInChI=1S/C12H15IN2O/c1-14-6-7-15(9-12(14)16)8-10-2-4-11(13)5-3-10/h2-5H,6-9H2,1H3
InChIKeyMUMVJOMVOMJAKZ-UHFFFAOYSA-N
XLogP1.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzohydrazide
CID 64693334
1-methyl-4-(pyridin-4-ylmethyl)-1,4-diazepan-2-one
CID 117005343
4-[(4-methyl-3-oxo-1,4-diazepan-1-yl)methyl]benzonitrile
CID 102848202
3-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzoic acid
CID 64693242
4-(2-chloroethyl)-1-methylpiperazin-2-one
CID 125497778
4-[[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]-1-methylpiperazin-2-one
CID 72889018
2-fluoro-5-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzenecarbothioamide
CID 107879415
2-[4-[(4-iodophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 65490706
3-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzenecarbothioamide
CID 64696100
4-[(2-amino-6-chlorophenyl)methyl]-1-methylpiperazin-2-one
CID 64682155
4-[(5-bromothiophen-2-yl)methyl]-1-methylpiperazin-2-one
CID 64694976
1-[(4-iodophenyl)methyl]-4-propylpiperazine-2,5-dione
CID 79941944

Frequently Asked Questions

What is the IUPAC name of 4-[(4-iodophenyl)methyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[(4-iodophenyl)methyl]-1-methylpiperazin-2-one (CID 65490515) is 4-[(4-iodophenyl)methyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[(4-iodophenyl)methyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[(4-iodophenyl)methyl]-1-methylpiperazin-2-one is CN1CCN(Cc2ccc(I)cc2)CC1=O.
What is the InChIKey of 4-[(4-iodophenyl)methyl]-1-methylpiperazin-2-one?
The InChIKey is MUMVJOMVOMJAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O/c1-14-6-7-15(9-12(14)16)8-10-2-4-11(13)5-3-10/h2-5H,6-9H2,1H3.
What are the key properties of 4-[(4-iodophenyl)methyl]-1-methylpiperazin-2-one?
4-[(4-iodophenyl)methyl]-1-methylpiperazin-2-one has a molecular weight of 330.17 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-iodophenyl)methyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 65490515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).