1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-3-ethoxypropan-1-one

C12H25N3O2 — CID 63337400

IUPAC1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-3-ethoxypropan-1-one
SMILESCCOCCC(=O)N1CCN(C(C)CN)CC1
InChIInChI=1S/C12H25N3O2/c1-3-17-9-4-12(16)15-7-5-14(6-8-15)11(2)10-13/h11H,3-10,13H2,1-2H3
InChIKeyQVXGJAWYOQZYLQ-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.10
Rot. Bonds6

About 1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-3-ethoxypropan-1-one

1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-3-ethoxypropan-1-one (PubChem CID 63337400) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-3-ethoxypropan-1-one.

Molecular Properties

Compound Name1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-3-ethoxypropan-1-one
PubChem CID63337400
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-3-ethoxypropan-1-one
SMILESCCOCCC(=O)N1CCN(C(C)CN)CC1
InChIInChI=1S/C12H25N3O2/c1-3-17-9-4-12(16)15-7-5-14(6-8-15)11(2)10-13/h11H,3-10,13H2,1-2H3
InChIKeyQVXGJAWYOQZYLQ-UHFFFAOYSA-N
XLogP-0.10
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butan-2-ylpiperazin-1-yl)-3-[2-(2-propan-2-yloxyethoxy)ethoxy]propan-1-one
CID 156819721
ethane;4-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 156820072
3-ethoxy-1-piperidin-1-ylpropan-1-one
CID 63184381
1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112601749
2-[4-(3-ethoxypropanoyl)piperazin-1-yl]acetic acid
CID 62590443
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-3-propoxypropan-1-one
CID 62688236
2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77011838
1-(3-ethoxypropanoyl)piperidine-4-carboxylic acid
CID 53211434
4-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]butan-1-one
CID 119843365
3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 2756459
3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 166478742
6-ethoxy-1-[4-(2-methylpropyl)piperazin-1-yl]hexan-1-one
CID 166112079

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-3-ethoxypropan-1-one?
The IUPAC name of 1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-3-ethoxypropan-1-one (CID 63337400) is 1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-3-ethoxypropan-1-one.
What is the SMILES notation for 1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-3-ethoxypropan-1-one?
The canonical SMILES for 1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-3-ethoxypropan-1-one is CCOCCC(=O)N1CCN(C(C)CN)CC1.
What is the InChIKey of 1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-3-ethoxypropan-1-one?
The InChIKey is QVXGJAWYOQZYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-3-17-9-4-12(16)15-7-5-14(6-8-15)11(2)10-13/h11H,3-10,13H2,1-2H3.
What are the key properties of 1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-3-ethoxypropan-1-one?
1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-3-ethoxypropan-1-one has a molecular weight of 243.35 g/mol, XLogP of -0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-3-ethoxypropan-1-one is sourced from PubChem (CID 63337400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).