3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethyl-N-phenylpropanamide

C17H27N3O — CID 64980701

IUPAC3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethyl-N-phenylpropanamide
SMILESCC1CN(CC(C)(C)C(=O)Nc2ccccc2)C(C)CN1
InChIInChI=1S/C17H27N3O/c1-13-11-20(14(2)10-18-13)12-17(3,4)16(21)19-15-8-6-5-7-9-15/h5-9,13-14,18H,10-12H2,1-4H3,(H,19,21)
InChIKeyPPZGYBKJSXBQFC-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.33
Rot. Bonds4

About 3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethyl-N-phenylpropanamide

3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethyl-N-phenylpropanamide (PubChem CID 64980701) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethyl-N-phenylpropanamide
PubChem CID64980701
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethyl-N-phenylpropanamide
SMILESCC1CN(CC(C)(C)C(=O)Nc2ccccc2)C(C)CN1
InChIInChI=1S/C17H27N3O/c1-13-11-20(14(2)10-18-13)12-17(3,4)16(21)19-15-8-6-5-7-9-15/h5-9,13-14,18H,10-12H2,1-4H3,(H,19,21)
InChIKeyPPZGYBKJSXBQFC-UHFFFAOYSA-N
XLogP2.33
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethyl-N-phenylpropanamide?
The IUPAC name of 3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethyl-N-phenylpropanamide (CID 64980701) is 3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethyl-N-phenylpropanamide.
What is the SMILES notation for 3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethyl-N-phenylpropanamide?
The canonical SMILES for 3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethyl-N-phenylpropanamide is CC1CN(CC(C)(C)C(=O)Nc2ccccc2)C(C)CN1.
What is the InChIKey of 3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethyl-N-phenylpropanamide?
The InChIKey is PPZGYBKJSXBQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-11-20(14(2)10-18-13)12-17(3,4)16(21)19-15-8-6-5-7-9-15/h5-9,13-14,18H,10-12H2,1-4H3,(H,19,21).
What are the key properties of 3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethyl-N-phenylpropanamide?
3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethyl-N-phenylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethyl-N-phenylpropanamide is sourced from PubChem (CID 64980701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).