4-(2-amino-2-methylpropyl)-1-[(3-chlorophenyl)methyl]piperazin-2-one

C15H22ClN3O — CID 120853340

IUPAC4-(2-amino-2-methylpropyl)-1-[(3-chlorophenyl)methyl]piperazin-2-one
SMILESCC(C)(N)CN1CCN(Cc2cccc(Cl)c2)C(=O)C1
InChIInChI=1S/C15H22ClN3O/c1-15(2,17)11-18-6-7-19(14(20)10-18)9-12-4-3-5-13(16)8-12/h3-5,8H,6-7,9-11,17H2,1-2H3
InChIKeyWGOBGWHONBDMSY-UHFFFAOYSA-N
MW295.81 g/mol
LogP1.72
Rot. Bonds4

About 4-(2-amino-2-methylpropyl)-1-[(3-chlorophenyl)methyl]piperazin-2-one

4-(2-amino-2-methylpropyl)-1-[(3-chlorophenyl)methyl]piperazin-2-one (PubChem CID 120853340) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 4-(2-amino-2-methylpropyl)-1-[(3-chlorophenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-(2-amino-2-methylpropyl)-1-[(3-chlorophenyl)methyl]piperazin-2-one
PubChem CID120853340
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name4-(2-amino-2-methylpropyl)-1-[(3-chlorophenyl)methyl]piperazin-2-one
SMILESCC(C)(N)CN1CCN(Cc2cccc(Cl)c2)C(=O)C1
InChIInChI=1S/C15H22ClN3O/c1-15(2,17)11-18-6-7-19(14(20)10-18)9-12-4-3-5-13(16)8-12/h3-5,8H,6-7,9-11,17H2,1-2H3
InChIKeyWGOBGWHONBDMSY-UHFFFAOYSA-N
XLogP1.72
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylpropyl)-1-[(3-chlorophenyl)methyl]piperazin-2-one?
The IUPAC name of 4-(2-amino-2-methylpropyl)-1-[(3-chlorophenyl)methyl]piperazin-2-one (CID 120853340) is 4-(2-amino-2-methylpropyl)-1-[(3-chlorophenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-(2-amino-2-methylpropyl)-1-[(3-chlorophenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-(2-amino-2-methylpropyl)-1-[(3-chlorophenyl)methyl]piperazin-2-one is CC(C)(N)CN1CCN(Cc2cccc(Cl)c2)C(=O)C1.
What is the InChIKey of 4-(2-amino-2-methylpropyl)-1-[(3-chlorophenyl)methyl]piperazin-2-one?
The InChIKey is WGOBGWHONBDMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-15(2,17)11-18-6-7-19(14(20)10-18)9-12-4-3-5-13(16)8-12/h3-5,8H,6-7,9-11,17H2,1-2H3.
What are the key properties of 4-(2-amino-2-methylpropyl)-1-[(3-chlorophenyl)methyl]piperazin-2-one?
4-(2-amino-2-methylpropyl)-1-[(3-chlorophenyl)methyl]piperazin-2-one has a molecular weight of 295.81 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylpropyl)-1-[(3-chlorophenyl)methyl]piperazin-2-one is sourced from PubChem (CID 120853340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).