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

C12H24N4O2 — CID 54872719

IUPAC4-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]butan-1-one
SMILESCN(C)CC(=O)N1CCN(C(=O)CCCN)CC1
InChIInChI=1S/C12H24N4O2/c1-14(2)10-12(18)16-8-6-15(7-9-16)11(17)4-3-5-13/h3-10,13H2,1-2H3
InChIKeyRFRXHMNYECVLSA-UHFFFAOYSA-N
MW256.35 g/mol
LogP-1.04
Rot. Bonds5

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

4-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]butan-1-one (PubChem CID 54872719) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]butan-1-one
PubChem CID54872719
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name4-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]butan-1-one
SMILESCN(C)CC(=O)N1CCN(C(=O)CCCN)CC1
InChIInChI=1S/C12H24N4O2/c1-14(2)10-12(18)16-8-6-15(7-9-16)11(17)4-3-5-13/h3-10,13H2,1-2H3
InChIKeyRFRXHMNYECVLSA-UHFFFAOYSA-N
XLogP-1.04
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-methylpentan-1-one
CID 104684531
4-(4-aminobutanoyl)piperazine-1-carboxylic acid
CID 122623364
7-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]heptan-1-one
CID 62888089
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
2-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 54872708
3-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2,2,3-trimethylbutan-1-one
CID 65269716
2-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 76895179
3-amino-1-(aziridin-1-yl)propan-1-one
CID 87106938
2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 59553868
4-amino-1-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butan-1-one
CID 119903300
7-amino-1-pyrrolidin-1-ylheptan-1-one
CID 24707646
N'-(2-aminoethyl)ethane-1,2-diamine;1,6-bis(aziridin-1-yl)hexane-1,6-dione
CID 175369374

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 4-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]butan-1-one (CID 54872719) is 4-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]butan-1-one is CN(C)CC(=O)N1CCN(C(=O)CCCN)CC1.
What is the InChIKey of 4-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]butan-1-one?
The InChIKey is RFRXHMNYECVLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-14(2)10-12(18)16-8-6-15(7-9-16)11(17)4-3-5-13/h3-10,13H2,1-2H3.
What are the key properties of 4-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]butan-1-one?
4-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]butan-1-one has a molecular weight of 256.35 g/mol, XLogP of -1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 54872719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).