4-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pentan-1-one;dihydrochloride

C15H30Cl2N4O3 — CID 120564429

IUPAC4-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pentan-1-one;dihydrochloride
SMILESCC(N)CCC(=O)N1CCN(C(=O)CN2CCOCC2)CC1.Cl.Cl
InChIInChI=1S/C15H28N4O3.2ClH/c1-13(16)2-3-14(20)18-4-6-19(7-5-18)15(21)12-17-8-10-22-11-9-17;;/h13H,2-12,16H2,1H3;2*1H
InChIKeyTZBQKFDHBJJWEA-UHFFFAOYSA-N
MW385.34 g/mol
LogP-0.04
Rot. Bonds5

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

4-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pentan-1-one;dihydrochloride (PubChem CID 120564429) has the molecular formula C15H30Cl2N4O3 and a molecular weight of 385.34 g/mol. Its IUPAC name is 4-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pentan-1-one;dihydrochloride.

Molecular Properties

Compound Name4-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pentan-1-one;dihydrochloride
PubChem CID120564429
Molecular FormulaC15H30Cl2N4O3
Molecular Weight385.34 g/mol
Exact Mass384.17
IUPAC Name4-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pentan-1-one;dihydrochloride
SMILESCC(N)CCC(=O)N1CCN(C(=O)CN2CCOCC2)CC1.Cl.Cl
InChIInChI=1S/C15H28N4O3.2ClH/c1-13(16)2-3-14(20)18-4-6-19(7-5-18)15(21)12-17-8-10-22-11-9-17;;/h13H,2-12,16H2,1H3;2*1H
InChIKeyTZBQKFDHBJJWEA-UHFFFAOYSA-N
XLogP-0.04
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pentan-1-one;dihydrochloride with MolForge

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Related Compounds

(2R)-2-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 119840052
3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 119840080
(2S)-2-amino-4-methyl-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 119834293
3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 71318447
4-amino-1-[4-(oxan-4-yl)piperazin-1-yl]pentan-1-one
CID 120565746
4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564498
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-[2-(diethylamino)acetyl]piperazin-1-yl]pentan-1-one;dihydrochloride
CID 120565339
2-morpholin-4-yl-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone
CID 55506472
4-(methylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119834225
N,N-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 52542447

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pentan-1-one;dihydrochloride?
The IUPAC name of 4-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pentan-1-one;dihydrochloride (CID 120564429) is 4-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pentan-1-one;dihydrochloride.
What is the SMILES notation for 4-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pentan-1-one;dihydrochloride?
The canonical SMILES for 4-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pentan-1-one;dihydrochloride is CC(N)CCC(=O)N1CCN(C(=O)CN2CCOCC2)CC1.Cl.Cl.
What is the InChIKey of 4-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pentan-1-one;dihydrochloride?
The InChIKey is TZBQKFDHBJJWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3.2ClH/c1-13(16)2-3-14(20)18-4-6-19(7-5-18)15(21)12-17-8-10-22-11-9-17;;/h13H,2-12,16H2,1H3;2*1H.
What are the key properties of 4-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pentan-1-one;dihydrochloride?
4-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pentan-1-one;dihydrochloride has a molecular weight of 385.34 g/mol, XLogP of -0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pentan-1-one;dihydrochloride is sourced from PubChem (CID 120564429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).