1-(4-aminopiperazin-1-yl)propan-1-one;ethane;1-methylpyrrolidine

C16H38N4O — CID 167474728

IUPAC1-(4-aminopiperazin-1-yl)propan-1-one;ethane;1-methylpyrrolidine
SMILESCC.CC.CCC(=O)N1CCN(N)CC1.CN1CCCC1
InChIInChI=1S/C7H15N3O.C5H11N.2C2H6/c1-2-7(11)9-3-5-10(8)6-4-9;1-6-4-2-3-5-6;2*1-2/h2-6,8H2,1H3;2-5H2,1H3;2*1-2H3
InChIKeyKRVAXKLKGXZUAW-UHFFFAOYSA-N
MW302.51 g/mol
LogP2.18
Rot. Bonds1

About 1-(4-aminopiperazin-1-yl)propan-1-one;ethane;1-methylpyrrolidine

1-(4-aminopiperazin-1-yl)propan-1-one;ethane;1-methylpyrrolidine (PubChem CID 167474728) has the molecular formula C16H38N4O and a molecular weight of 302.51 g/mol. Its IUPAC name is 1-(4-aminopiperazin-1-yl)propan-1-one;ethane;1-methylpyrrolidine.

Molecular Properties

Compound Name1-(4-aminopiperazin-1-yl)propan-1-one;ethane;1-methylpyrrolidine
PubChem CID167474728
Molecular FormulaC16H38N4O
Molecular Weight302.51 g/mol
Exact Mass302.30
IUPAC Name1-(4-aminopiperazin-1-yl)propan-1-one;ethane;1-methylpyrrolidine
SMILESCC.CC.CCC(=O)N1CCN(N)CC1.CN1CCCC1
InChIInChI=1S/C7H15N3O.C5H11N.2C2H6/c1-2-7(11)9-3-5-10(8)6-4-9;1-6-4-2-3-5-6;2*1-2/h2-6,8H2,1H3;2-5H2,1H3;2*1-2H3
InChIKeyKRVAXKLKGXZUAW-UHFFFAOYSA-N
XLogP2.18
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.51
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one
CID 146415893
1-[4,7-di(propanoyl)-1,4,7-triazonan-1-yl]propan-1-one;ethane;propane
CID 177209805
1-(azepan-1-yl)propan-1-one
CID 3613534
ethene;1-pyrrolidin-1-ylpropan-1-one
CID 158024233
methane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one
CID 158630764
1-(4-sulfanylpiperazin-1-yl)propan-1-one
CID 123150582
ethane;1-(4-propylpiperazin-1-yl)propan-1-one
CID 171788369
butan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 158896356
formic acid;1-pyrrolidin-1-ylpropan-1-one
CID 142278991
1-(4-aminopiperazin-1-yl)-2-hydroxyethanone
CID 123367646
(4-aminopiperazin-1-yl)-(1-methylpiperidin-4-yl)methanone
CID 174315693
ethane;1-(4-methylpiperazin-1-yl)hexane-1,4-dione
CID 176683530

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperazin-1-yl)propan-1-one;ethane;1-methylpyrrolidine?
The IUPAC name of 1-(4-aminopiperazin-1-yl)propan-1-one;ethane;1-methylpyrrolidine (CID 167474728) is 1-(4-aminopiperazin-1-yl)propan-1-one;ethane;1-methylpyrrolidine.
What is the SMILES notation for 1-(4-aminopiperazin-1-yl)propan-1-one;ethane;1-methylpyrrolidine?
The canonical SMILES for 1-(4-aminopiperazin-1-yl)propan-1-one;ethane;1-methylpyrrolidine is CC.CC.CCC(=O)N1CCN(N)CC1.CN1CCCC1.
What is the InChIKey of 1-(4-aminopiperazin-1-yl)propan-1-one;ethane;1-methylpyrrolidine?
The InChIKey is KRVAXKLKGXZUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O.C5H11N.2C2H6/c1-2-7(11)9-3-5-10(8)6-4-9;1-6-4-2-3-5-6;2*1-2/h2-6,8H2,1H3;2-5H2,1H3;2*1-2H3.
What are the key properties of 1-(4-aminopiperazin-1-yl)propan-1-one;ethane;1-methylpyrrolidine?
1-(4-aminopiperazin-1-yl)propan-1-one;ethane;1-methylpyrrolidine has a molecular weight of 302.51 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperazin-1-yl)propan-1-one;ethane;1-methylpyrrolidine is sourced from PubChem (CID 167474728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).