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

C14H28N4O2 — CID 76895179

IUPAC2-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
SMILESCN(C)CC(=O)N1CCN(C(=O)C(N)C(C)(C)C)CC1
InChIInChI=1S/C14H28N4O2/c1-14(2,3)12(15)13(20)18-8-6-17(7-9-18)11(19)10-16(4)5/h12H,6-10,15H2,1-5H3
InChIKeyVOJFZTWQNYGJQA-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.41
Rot. Bonds3

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

2-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 76895179) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID76895179
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name2-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
SMILESCN(C)CC(=O)N1CCN(C(=O)C(N)C(C)(C)C)CC1
InChIInChI=1S/C14H28N4O2/c1-14(2,3)12(15)13(20)18-8-6-17(7-9-18)11(19)10-16(4)5/h12H,6-10,15H2,1-5H3
InChIKeyVOJFZTWQNYGJQA-UHFFFAOYSA-N
XLogP-0.41
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-0.41
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-methylbutan-1-one
CID 54872708
(2S)-2-amino-3,3-dimethyl-1-[4-(3-methylbutanoyl)piperazin-1-yl]butan-1-one
CID 61163008
4-(2-amino-3,3-dimethylbutanoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 76894523
3-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2,2,3-trimethylbutan-1-one
CID 65269716
2-[4-[(2R)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 103929106
(2S)-2-amino-3,3-dimethyl-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]butan-1-one
CID 119735035
(2S)-2-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-4-methylsulfanylbutan-1-one
CID 61165122
2-[4-[(2R)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]acetic acid
CID 113353402
1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-(methylamino)propan-1-one
CID 62637512
4-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]butan-1-one
CID 54872719
(2S)-2-amino-3,3-dimethyl-1-(4-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119675086
(2S)-2-amino-3,3-dimethyl-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]butan-1-one
CID 119887954

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 2-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-3,3-dimethylbutan-1-one (CID 76895179) is 2-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 2-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 2-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-3,3-dimethylbutan-1-one is CN(C)CC(=O)N1CCN(C(=O)C(N)C(C)(C)C)CC1.
What is the InChIKey of 2-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is VOJFZTWQNYGJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-14(2,3)12(15)13(20)18-8-6-17(7-9-18)11(19)10-16(4)5/h12H,6-10,15H2,1-5H3.
What are the key properties of 2-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-3,3-dimethylbutan-1-one?
2-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 284.40 g/mol, XLogP of -0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 76895179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).