5-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-methylpentan-1-one

C14H28N4O2 — CID 104684531

IUPAC5-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-methylpentan-1-one
SMILESCC(CCCN)C(=O)N1CCN(C(=O)CN(C)C)CC1
InChIInChI=1S/C14H28N4O2/c1-12(5-4-6-15)14(20)18-9-7-17(8-10-18)13(19)11-16(2)3/h12H,4-11,15H2,1-3H3
InChIKeyXVJCLEGLSIGEAN-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.41
Rot. Bonds6

About 5-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-methylpentan-1-one

5-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-methylpentan-1-one (PubChem CID 104684531) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 5-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-methylpentan-1-one.

Molecular Properties

Compound Name5-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-methylpentan-1-one
PubChem CID104684531
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name5-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-methylpentan-1-one
SMILESCC(CCCN)C(=O)N1CCN(C(=O)CN(C)C)CC1
InChIInChI=1S/C14H28N4O2/c1-12(5-4-6-15)14(20)18-9-7-17(8-10-18)13(19)11-16(2)3/h12H,4-11,15H2,1-3H3
InChIKeyXVJCLEGLSIGEAN-UHFFFAOYSA-N
XLogP-0.41
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

4-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]butan-1-one
CID 54872719
4-(5-amino-2-methylpentanoyl)piperazine-1-sulfonamide
CID 113440928
2-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 54872708
5-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-one
CID 104683713
5-amino-1-(4-tert-butylpiperidin-1-yl)-2-methylpentan-1-one
CID 113440980
1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-(methylamino)propan-1-one
CID 62637512
5-amino-2-methyl-1-(1,4-thiazepan-4-yl)pentan-1-one
CID 104684861
5-amino-1-(4,4-diethylpiperidin-1-yl)-2-methylpentan-1-one
CID 113441000
5-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 104685126
2-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 76895179
2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 59553868
5-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one
CID 104683408

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-methylpentan-1-one?
The IUPAC name of 5-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-methylpentan-1-one (CID 104684531) is 5-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-methylpentan-1-one.
What is the SMILES notation for 5-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-methylpentan-1-one?
The canonical SMILES for 5-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-methylpentan-1-one is CC(CCCN)C(=O)N1CCN(C(=O)CN(C)C)CC1.
What is the InChIKey of 5-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-methylpentan-1-one?
The InChIKey is XVJCLEGLSIGEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-12(5-4-6-15)14(20)18-9-7-17(8-10-18)13(19)11-16(2)3/h12H,4-11,15H2,1-3H3.
What are the key properties of 5-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-methylpentan-1-one?
5-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-methylpentan-1-one has a molecular weight of 284.40 g/mol, XLogP of -0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-methylpentan-1-one is sourced from PubChem (CID 104684531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).