N-(3-formamidopropyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide

C11H18N4O4 — CID 108528818

IUPACN-(3-formamidopropyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide
SMILESO=CNCCCNC(=O)C(=O)N1CCN(C=O)CC1
InChIInChI=1S/C11H18N4O4/c16-8-12-2-1-3-13-10(18)11(19)15-6-4-14(9-17)5-7-15/h8-9H,1-7H2,(H,12,16)(H,13,18)
InChIKeyMVJFNPLFLBQPHK-UHFFFAOYSA-N
MW270.29 g/mol
LogP-2.46
Rot. Bonds6

About N-(3-formamidopropyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide

N-(3-formamidopropyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide (PubChem CID 108528818) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(3-formamidopropyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-formamidopropyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide
PubChem CID108528818
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC NameN-(3-formamidopropyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide
SMILESO=CNCCCNC(=O)C(=O)N1CCN(C=O)CC1
InChIInChI=1S/C11H18N4O4/c16-8-12-2-1-3-13-10(18)11(19)15-6-4-14(9-17)5-7-15/h8-9H,1-7H2,(H,12,16)(H,13,18)
InChIKeyMVJFNPLFLBQPHK-UHFFFAOYSA-N
XLogP-2.46
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-2.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-formamidopropyl)-2-oxoacetamide
CID 108514136
N-(3-chloropropyl)-4-formylpiperazine-1-carboxamide
CID 127572595
2-(4-methylpiperazin-1-yl)-2-oxo-N-pentylacetamide
CID 108517060
N-(3-hydroxypropyl)-2-oxo-2-piperidin-1-ylacetamide
CID 108517228
N-(3-formamidopropyl)-N'-prop-2-enyloxamide
CID 108526430
3-(4-formylpiperazin-1-yl)-N-pentylpropanamide
CID 109017998
4-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]piperazine-1-carbaldehyde
CID 108517141
4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 108988593
N-(5-hydroxypentyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 108504582
2-bromo-N-(3-formamidopropyl)acetamide
CID 122608311
methyl N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]carbamate
CID 112991841
2-[4-(2-aminoethyl)piperazin-1-yl]-N-(3-chloropropyl)-2-oxoacetamide
CID 108513648

Frequently Asked Questions

What is the IUPAC name of N-(3-formamidopropyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(3-formamidopropyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide (CID 108528818) is N-(3-formamidopropyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(3-formamidopropyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(3-formamidopropyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide is O=CNCCCNC(=O)C(=O)N1CCN(C=O)CC1.
What is the InChIKey of N-(3-formamidopropyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide?
The InChIKey is MVJFNPLFLBQPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c16-8-12-2-1-3-13-10(18)11(19)15-6-4-14(9-17)5-7-15/h8-9H,1-7H2,(H,12,16)(H,13,18).
What are the key properties of N-(3-formamidopropyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide?
N-(3-formamidopropyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide has a molecular weight of 270.29 g/mol, XLogP of -2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formamidopropyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108528818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).