(2S)-2-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-4-methylpentan-1-one

C16H32N4O2 — CID 119875981

IUPAC(2S)-2-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-4-methylpentan-1-one
SMILESCCN(CC)CC(=O)N1CCN(C(=O)[C@@H](N)CC(C)C)CC1
InChIInChI=1S/C16H32N4O2/c1-5-18(6-2)12-15(21)19-7-9-20(10-8-19)16(22)14(17)11-13(3)4/h13-14H,5-12,17H2,1-4H3/t14-/m0/s1
InChIKeyASZLXKORPHZSEU-AWEZNQCLSA-N
MW312.46 g/mol
LogP0.37
Rot. Bonds7

About (2S)-2-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-4-methylpentan-1-one

(2S)-2-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-4-methylpentan-1-one (PubChem CID 119875981) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-4-methylpentan-1-one
PubChem CID119875981
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC Name(2S)-2-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-4-methylpentan-1-one
SMILESCCN(CC)CC(=O)N1CCN(C(=O)[C@@H](N)CC(C)C)CC1
InChIInChI=1S/C16H32N4O2/c1-5-18(6-2)12-15(21)19-7-9-20(10-8-19)16(22)14(17)11-13(3)4/h13-14H,5-12,17H2,1-4H3/t14-/m0/s1
InChIKeyASZLXKORPHZSEU-AWEZNQCLSA-N
XLogP0.37
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-2-methylbutan-1-one
CID 120503691
4-[(2S)-2-amino-4-methylpentanoyl]-N,N-diethylpiperazine-1-carboxamide
CID 61162840
2-amino-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 20500850
4-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]pentan-1-one;dihydrochloride
CID 120565339
(2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one
CID 22690990
(2S)-2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95295952
4-[(2S)-2-amino-4-methylpentanoyl]piperazine-1-sulfonamide
CID 61157441
2-[4-[(2S)-2-amino-4-methylpentanoyl]piperazin-1-yl]propanoic acid
CID 62311109
2-[4-[(2S)-2-amino-4-methylpentanoyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 119844101
1-[4-[(2S)-2-aminobutanoyl]piperazin-1-yl]-3-methylbutan-1-one
CID 79024097
(2S)-2-amino-4-methyl-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 119834293
2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one;hydrochloride
CID 47003200

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-4-methylpentan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-4-methylpentan-1-one (CID 119875981) is (2S)-2-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-4-methylpentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-4-methylpentan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-4-methylpentan-1-one is CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](N)CC(C)C)CC1.
What is the InChIKey of (2S)-2-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-4-methylpentan-1-one?
The InChIKey is ASZLXKORPHZSEU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H32N4O2/c1-5-18(6-2)12-15(21)19-7-9-20(10-8-19)16(22)14(17)11-13(3)4/h13-14H,5-12,17H2,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-4-methylpentan-1-one?
(2S)-2-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-4-methylpentan-1-one has a molecular weight of 312.46 g/mol, XLogP of 0.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-4-methylpentan-1-one is sourced from PubChem (CID 119875981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).