3-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2,2,3-trimethylbutan-1-one

C15H30N4O2 — CID 65269716

IUPAC3-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2,2,3-trimethylbutan-1-one
SMILESCN(C)CC(=O)N1CCN(C(=O)C(C)(C)C(C)(C)N)CC1
InChIInChI=1S/C15H30N4O2/c1-14(2,15(3,4)16)13(21)19-9-7-18(8-10-19)12(20)11-17(5)6/h7-11,16H2,1-6H3
InChIKeyUSDGNYAJCHQEKD-UHFFFAOYSA-N
MW298.43 g/mol
LogP-0.02
Rot. Bonds4

About 3-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2,2,3-trimethylbutan-1-one

3-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2,2,3-trimethylbutan-1-one (PubChem CID 65269716) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2,2,3-trimethylbutan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2,2,3-trimethylbutan-1-one
PubChem CID65269716
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Name3-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2,2,3-trimethylbutan-1-one
SMILESCN(C)CC(=O)N1CCN(C(=O)C(C)(C)C(C)(C)N)CC1
InChIInChI=1S/C15H30N4O2/c1-14(2,15(3,4)16)13(21)19-9-7-18(8-10-19)12(20)11-17(5)6/h7-11,16H2,1-6H3
InChIKeyUSDGNYAJCHQEKD-UHFFFAOYSA-N
XLogP-0.02
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 76895179
4-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]butan-1-one
CID 54872719
3-amino-2,2,3-trimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
CID 65270005
2-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 54872708
2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 59553868
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
trimethyl-[2-oxo-2-[4-(2,2,3,3-tetramethylbutanoyl)piperazin-1-yl]ethyl]azanium
CID 168735202
2-(dimethylamino)-1-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]ethanone
CID 56751090
2-(dimethylamino)-1-[4-(3-methylpentan-3-ylamino)piperidin-1-yl]ethanone
CID 130426463
3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]propanoic acid;hydrochloride
CID 56802011
1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-(methylamino)propan-1-one
CID 62637512
5-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-methylpentan-1-one
CID 104684531

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2,2,3-trimethylbutan-1-one?
The IUPAC name of 3-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2,2,3-trimethylbutan-1-one (CID 65269716) is 3-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2,2,3-trimethylbutan-1-one.
What is the SMILES notation for 3-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2,2,3-trimethylbutan-1-one?
The canonical SMILES for 3-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2,2,3-trimethylbutan-1-one is CN(C)CC(=O)N1CCN(C(=O)C(C)(C)C(C)(C)N)CC1.
What is the InChIKey of 3-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2,2,3-trimethylbutan-1-one?
The InChIKey is USDGNYAJCHQEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-14(2,15(3,4)16)13(21)19-9-7-18(8-10-19)12(20)11-17(5)6/h7-11,16H2,1-6H3.
What are the key properties of 3-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2,2,3-trimethylbutan-1-one?
3-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2,2,3-trimethylbutan-1-one has a molecular weight of 298.43 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2,2,3-trimethylbutan-1-one is sourced from PubChem (CID 65269716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).