4-[2-amino-1-(2-chlorophenyl)propyl]-3,3-dimethylpiperazin-2-one

C15H22ClN3O — CID 63595749

IUPAC4-[2-amino-1-(2-chlorophenyl)propyl]-3,3-dimethylpiperazin-2-one
SMILESCC(N)C(c1ccccc1Cl)N1CCNC(=O)C1(C)C
InChIInChI=1S/C15H22ClN3O/c1-10(17)13(11-6-4-5-7-12(11)16)19-9-8-18-14(20)15(19,2)3/h4-7,10,13H,8-9,17H2,1-3H3,(H,18,20)
InChIKeyVLYFEBNQRVNUMQ-UHFFFAOYSA-N
MW295.81 g/mol
LogP1.94
Rot. Bonds3

About 4-[2-amino-1-(2-chlorophenyl)propyl]-3,3-dimethylpiperazin-2-one

4-[2-amino-1-(2-chlorophenyl)propyl]-3,3-dimethylpiperazin-2-one (PubChem CID 63595749) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 4-[2-amino-1-(2-chlorophenyl)propyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-amino-1-(2-chlorophenyl)propyl]-3,3-dimethylpiperazin-2-one
PubChem CID63595749
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name4-[2-amino-1-(2-chlorophenyl)propyl]-3,3-dimethylpiperazin-2-one
SMILESCC(N)C(c1ccccc1Cl)N1CCNC(=O)C1(C)C
InChIInChI=1S/C15H22ClN3O/c1-10(17)13(11-6-4-5-7-12(11)16)19-9-8-18-14(20)15(19,2)3/h4-7,10,13H,8-9,17H2,1-3H3,(H,18,20)
InChIKeyVLYFEBNQRVNUMQ-UHFFFAOYSA-N
XLogP1.94
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-(2-chlorophenyl)propyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[2-amino-1-(2-chlorophenyl)propyl]-3,3-dimethylpiperazin-2-one (CID 63595749) is 4-[2-amino-1-(2-chlorophenyl)propyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-amino-1-(2-chlorophenyl)propyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[2-amino-1-(2-chlorophenyl)propyl]-3,3-dimethylpiperazin-2-one is CC(N)C(c1ccccc1Cl)N1CCNC(=O)C1(C)C.
What is the InChIKey of 4-[2-amino-1-(2-chlorophenyl)propyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is VLYFEBNQRVNUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-10(17)13(11-6-4-5-7-12(11)16)19-9-8-18-14(20)15(19,2)3/h4-7,10,13H,8-9,17H2,1-3H3,(H,18,20).
What are the key properties of 4-[2-amino-1-(2-chlorophenyl)propyl]-3,3-dimethylpiperazin-2-one?
4-[2-amino-1-(2-chlorophenyl)propyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 295.81 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(2-chlorophenyl)propyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63595749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).