N'-[3-[3,6-dioxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide

C12H20N4O3 — CID 18717754

IUPACN'-[3-[3,6-dioxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide
SMILESCC(=O)CN1CC(=O)NC(CCC/N=C(\C)N)C1=O
InChIInChI=1S/C12H20N4O3/c1-8(17)6-16-7-11(18)15-10(12(16)19)4-3-5-14-9(2)13/h10H,3-7H2,1-2H3,(H2,13,14)(H,15,18)
InChIKeyDLYFLRVTVRRLHG-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.94
Rot. Bonds6

About N'-[3-[3,6-dioxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide

N'-[3-[3,6-dioxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide (PubChem CID 18717754) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is N'-[3-[3,6-dioxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide.

Molecular Properties

Compound NameN'-[3-[3,6-dioxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide
PubChem CID18717754
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC NameN'-[3-[3,6-dioxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide
SMILESCC(=O)CN1CC(=O)NC(CCC/N=C(\C)N)C1=O
InChIInChI=1S/C12H20N4O3/c1-8(17)6-16-7-11(18)15-10(12(16)19)4-3-5-14-9(2)13/h10H,3-7H2,1-2H3,(H2,13,14)(H,15,18)
InChIKeyDLYFLRVTVRRLHG-UHFFFAOYSA-N
XLogP-0.94
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

N-(4-Amino-5-oxo-5-piperidin-1-yl-pentyl)-guanidine
CID 20198196
Ac-AR-NH2
CID 46889982
H2N-Ara-NH2
CID 46889983
Ac-AR-(N-Me)A-NH2
CID 46889985
1-(3-(5-Isobutyl-3,6-dioxopiperazin-2-yl)propyl)guanidine
CID 13452927
Cyclo(arginylglycyl)
CID 188269
N(alpha)-Acetylarginine methylamide
CID 193709
2-amino-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]acetamide
CID 137349924
N-alpha-acetylarginine-ethylamide
CID 129680
Ac-Arg-Nh2 Salt
CID 7019514
L-Argininamide, L-alanyl-
CID 148558
2-[3-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propyl]guanidine
CID 13452928

Frequently Asked Questions

What is the IUPAC name of N'-[3-[3,6-dioxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide?
The IUPAC name of N'-[3-[3,6-dioxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide (CID 18717754) is N'-[3-[3,6-dioxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide.
What is the SMILES notation for N'-[3-[3,6-dioxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide?
The canonical SMILES for N'-[3-[3,6-dioxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide is CC(=O)CN1CC(=O)NC(CCC/N=C(\C)N)C1=O.
What is the InChIKey of N'-[3-[3,6-dioxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide?
The InChIKey is DLYFLRVTVRRLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-8(17)6-16-7-11(18)15-10(12(16)19)4-3-5-14-9(2)13/h10H,3-7H2,1-2H3,(H2,13,14)(H,15,18).
What are the key properties of N'-[3-[3,6-dioxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide?
N'-[3-[3,6-dioxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide has a molecular weight of 268.32 g/mol, XLogP of -0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[3,6-dioxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide is sourced from PubChem (CID 18717754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).