3-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-2-methylbutan-1-one

C15H30N4O2 — CID 120503691

IUPAC3-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-2-methylbutan-1-one
SMILESCCN(CC)CC(=O)N1CCN(C(=O)C(C)C(C)N)CC1
InChIInChI=1S/C15H30N4O2/c1-5-17(6-2)11-14(20)18-7-9-19(10-8-18)15(21)12(3)13(4)16/h12-13H,5-11,16H2,1-4H3
InChIKeyPMMGSIIXIBVVDX-UHFFFAOYSA-N
MW298.43 g/mol
LogP-0.02
Rot. Bonds6

About 3-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-2-methylbutan-1-one

3-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-2-methylbutan-1-one (PubChem CID 120503691) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-2-methylbutan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-2-methylbutan-1-one
PubChem CID120503691
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Name3-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-2-methylbutan-1-one
SMILESCCN(CC)CC(=O)N1CCN(C(=O)C(C)C(C)N)CC1
InChIInChI=1S/C15H30N4O2/c1-5-17(6-2)11-14(20)18-7-9-19(10-8-18)15(21)12(3)13(4)16/h12-13H,5-11,16H2,1-4H3
InChIKeyPMMGSIIXIBVVDX-UHFFFAOYSA-N
XLogP-0.02
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

(2S)-2-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-4-methylpentan-1-one
CID 119875981
4-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]pentan-1-one;dihydrochloride
CID 120565339
(2S)-2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95295952
3-amino-2-methyl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]butan-1-one
CID 120503693
3-amino-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120502642
3-amino-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride
CID 120502801
2-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 54872708
3-amino-1-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120502802
1-(azepan-1-yl)-2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]ethanone
CID 56796763
2-[ethyl(2-hydroxyethyl)amino]-1-piperidin-1-ylethanone
CID 60685851
3-amino-2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 120502681
3-[ethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-methylpropanoic acid
CID 62853878

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-2-methylbutan-1-one?
The IUPAC name of 3-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-2-methylbutan-1-one (CID 120503691) is 3-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-2-methylbutan-1-one.
What is the SMILES notation for 3-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-2-methylbutan-1-one?
The canonical SMILES for 3-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-2-methylbutan-1-one is CCN(CC)CC(=O)N1CCN(C(=O)C(C)C(C)N)CC1.
What is the InChIKey of 3-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-2-methylbutan-1-one?
The InChIKey is PMMGSIIXIBVVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-5-17(6-2)11-14(20)18-7-9-19(10-8-18)15(21)12(3)13(4)16/h12-13H,5-11,16H2,1-4H3.
What are the key properties of 3-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-2-methylbutan-1-one?
3-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-2-methylbutan-1-one has a molecular weight of 298.43 g/mol, XLogP of -0.02, 6 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-(diethylamino)acetyl]piperazin-1-yl]-2-methylbutan-1-one is sourced from PubChem (CID 120503691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).