4-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]pentan-1-one;dihydrochloride

C15H32Cl2N4O2 — CID 120565339

IUPAC4-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]pentan-1-one;dihydrochloride
SMILESCCN(CC)CC(=O)N1CCN(C(=O)CCC(C)N)CC1.Cl.Cl
InChIInChI=1S/C15H30N4O2.2ClH/c1-4-17(5-2)12-15(21)19-10-8-18(9-11-19)14(20)7-6-13(3)16;;/h13H,4-12,16H2,1-3H3;2*1H
InChIKeyQBFMPJTTXRPHQE-UHFFFAOYSA-N
MW371.35 g/mol
LogP0.97
Rot. Bonds7

About 4-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]pentan-1-one;dihydrochloride

4-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]pentan-1-one;dihydrochloride (PubChem CID 120565339) has the molecular formula C15H32Cl2N4O2 and a molecular weight of 371.35 g/mol. Its IUPAC name is 4-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]pentan-1-one;dihydrochloride.

Molecular Properties

Compound Name4-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]pentan-1-one;dihydrochloride
PubChem CID120565339
Molecular FormulaC15H32Cl2N4O2
Molecular Weight371.35 g/mol
Exact Mass370.19
IUPAC Name4-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]pentan-1-one;dihydrochloride
SMILESCCN(CC)CC(=O)N1CCN(C(=O)CCC(C)N)CC1.Cl.Cl
InChIInChI=1S/C15H30N4O2.2ClH/c1-4-17(5-2)12-15(21)19-10-8-18(9-11-19)14(20)7-6-13(3)16;;/h13H,4-12,16H2,1-3H3;2*1H
InChIKeyQBFMPJTTXRPHQE-UHFFFAOYSA-N
XLogP0.97
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564498
3-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-2-methylbutan-1-one
CID 120503691
(2S)-2-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-4-methylpentan-1-one
CID 119875981
4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 120562620
4-amino-1-(4-cyclopropylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564504
2-[4-(4-aminopentanoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 120564514
4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one
CID 120562621
4-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120560088
4-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 120564429
4-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pentanamide;dihydrochloride
CID 120564659
(2S)-2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95295952
4-amino-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pentan-1-one
CID 120560567

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]pentan-1-one;dihydrochloride?
The IUPAC name of 4-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]pentan-1-one;dihydrochloride (CID 120565339) is 4-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]pentan-1-one;dihydrochloride.
What is the SMILES notation for 4-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]pentan-1-one;dihydrochloride?
The canonical SMILES for 4-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]pentan-1-one;dihydrochloride is CCN(CC)CC(=O)N1CCN(C(=O)CCC(C)N)CC1.Cl.Cl.
What is the InChIKey of 4-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]pentan-1-one;dihydrochloride?
The InChIKey is QBFMPJTTXRPHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2.2ClH/c1-4-17(5-2)12-15(21)19-10-8-18(9-11-19)14(20)7-6-13(3)16;;/h13H,4-12,16H2,1-3H3;2*1H.
What are the key properties of 4-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]pentan-1-one;dihydrochloride?
4-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]pentan-1-one;dihydrochloride has a molecular weight of 371.35 g/mol, XLogP of 0.97, 7 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-(diethylamino)acetyl]piperazin-1-yl]pentan-1-one;dihydrochloride is sourced from PubChem (CID 120565339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).