2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N'-hydroxyethanimidamide

C11H22N4O3 — CID 77011838

IUPAC2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESCCOCCC(=O)N1CCN(CC(N)=NO)CC1
InChIInChI=1S/C11H22N4O3/c1-2-18-8-3-11(16)15-6-4-14(5-7-15)9-10(12)13-17/h17H,2-9H2,1H3,(H2,12,13)
InChIKeyIVEJKYATCWBLPT-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.70
Rot. Bonds6

About 2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N'-hydroxyethanimidamide

2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N'-hydroxyethanimidamide (PubChem CID 77011838) has the molecular formula C11H22N4O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
PubChem CID77011838
Molecular FormulaC11H22N4O3
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Name2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESCCOCCC(=O)N1CCN(CC(N)=NO)CC1
InChIInChI=1S/C11H22N4O3/c1-2-18-8-3-11(16)15-6-4-14(5-7-15)9-10(12)13-17/h17H,2-9H2,1H3,(H2,12,13)
InChIKeyIVEJKYATCWBLPT-UHFFFAOYSA-N
XLogP-0.70
TPSA91.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[3-(2,2-difluoroethoxy)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 103211602
2-[4-(3-ethoxypropanoyl)piperazin-1-yl]acetic acid
CID 62590443
3-ethoxy-1-piperidin-1-ylpropan-1-one
CID 63184381
2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N-[(1R,3S)-3-methylcyclohexyl]acetamide
CID 95172406
2-(4-ethylpiperazin-1-yl)-N'-hydroxyethanimidamide
CID 74312988
4-ethoxy-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]butan-1-one
CID 78881730
1-(3-ethoxypropanoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041945
4-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]butan-1-one
CID 119843365
1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-3-ethoxypropan-1-one
CID 63337400
2-[4-[3-(furan-2-yl)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77012011
6-ethoxy-1-[4-(2-methylpropyl)piperazin-1-yl]hexan-1-one
CID 166112079
1-(3-ethoxypropanoyl)piperidine-4-carboxylic acid
CID 53211434

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N'-hydroxyethanimidamide (CID 77011838) is 2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N'-hydroxyethanimidamide is CCOCCC(=O)N1CCN(CC(N)=NO)CC1.
What is the InChIKey of 2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The InChIKey is IVEJKYATCWBLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3/c1-2-18-8-3-11(16)15-6-4-14(5-7-15)9-10(12)13-17/h17H,2-9H2,1H3,(H2,12,13).
What are the key properties of 2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N'-hydroxyethanimidamide has a molecular weight of 258.32 g/mol, XLogP of -0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77011838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).