N'-(1-hydroxybutan-2-yl)-N-(2-piperazin-1-ylethyl)oxamide

C12H24N4O3 — CID 108517854

IUPACN'-(1-hydroxybutan-2-yl)-N-(2-piperazin-1-ylethyl)oxamide
SMILESCCC(CO)NC(=O)C(=O)NCCN1CCNCC1
InChIInChI=1S/C12H24N4O3/c1-2-10(9-17)15-12(19)11(18)14-5-8-16-6-3-13-4-7-16/h10,13,17H,2-9H2,1H3,(H,14,18)(H,15,19)
InChIKeyAHLNUEMIHPFQJJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP-2.11
Rot. Bonds6

About N'-(1-hydroxybutan-2-yl)-N-(2-piperazin-1-ylethyl)oxamide

N'-(1-hydroxybutan-2-yl)-N-(2-piperazin-1-ylethyl)oxamide (PubChem CID 108517854) has the molecular formula C12H24N4O3 and a molecular weight of 272.35 g/mol. Its IUPAC name is N'-(1-hydroxybutan-2-yl)-N-(2-piperazin-1-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(1-hydroxybutan-2-yl)-N-(2-piperazin-1-ylethyl)oxamide
PubChem CID108517854
Molecular FormulaC12H24N4O3
Molecular Weight272.35 g/mol
Exact Mass272.18
IUPAC NameN'-(1-hydroxybutan-2-yl)-N-(2-piperazin-1-ylethyl)oxamide
SMILESCCC(CO)NC(=O)C(=O)NCCN1CCNCC1
InChIInChI=1S/C12H24N4O3/c1-2-10(9-17)15-12(19)11(18)14-5-8-16-6-3-13-4-7-16/h10,13,17H,2-9H2,1H3,(H,14,18)(H,15,19)
InChIKeyAHLNUEMIHPFQJJ-UHFFFAOYSA-N
XLogP-2.11
TPSA93.70 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 5-2.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(1-adamantyl)ethyl]-N-(2-piperazin-1-ylethyl)oxamide
CID 108509043
3-hydroxy-2-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid
CID 61408498
3-methyl-2-(2-piperazin-1-ylethylcarbamoylamino)pentanoic acid
CID 61408451
2-methoxy-N-(2-piperazin-1-ylethyl)propanamide
CID 115736805
N-(1-hydroxybutan-2-yl)-4-oxo-4-piperazin-1-ylbutanamide
CID 82042344
N-(3-morpholin-4-ylpropyl)-N'-(2-piperazin-1-ylethyl)oxamide
CID 108517732
N'-tert-butyl-N'-ethyl-N-(2-piperazin-1-ylethyl)oxamide
CID 108517977
3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119447149
N'-[(4-methylphenyl)methyl]-N-(2-piperazin-1-ylethyl)oxamide
CID 108517726
N-[2-(1,4-diazepan-1-yl)ethyl]acetamide
CID 43162540
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 110892410
2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119393199

Frequently Asked Questions

What is the IUPAC name of N'-(1-hydroxybutan-2-yl)-N-(2-piperazin-1-ylethyl)oxamide?
The IUPAC name of N'-(1-hydroxybutan-2-yl)-N-(2-piperazin-1-ylethyl)oxamide (CID 108517854) is N'-(1-hydroxybutan-2-yl)-N-(2-piperazin-1-ylethyl)oxamide.
What is the SMILES notation for N'-(1-hydroxybutan-2-yl)-N-(2-piperazin-1-ylethyl)oxamide?
The canonical SMILES for N'-(1-hydroxybutan-2-yl)-N-(2-piperazin-1-ylethyl)oxamide is CCC(CO)NC(=O)C(=O)NCCN1CCNCC1.
What is the InChIKey of N'-(1-hydroxybutan-2-yl)-N-(2-piperazin-1-ylethyl)oxamide?
The InChIKey is AHLNUEMIHPFQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3/c1-2-10(9-17)15-12(19)11(18)14-5-8-16-6-3-13-4-7-16/h10,13,17H,2-9H2,1H3,(H,14,18)(H,15,19).
What are the key properties of N'-(1-hydroxybutan-2-yl)-N-(2-piperazin-1-ylethyl)oxamide?
N'-(1-hydroxybutan-2-yl)-N-(2-piperazin-1-ylethyl)oxamide has a molecular weight of 272.35 g/mol, XLogP of -2.11, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-hydroxybutan-2-yl)-N-(2-piperazin-1-ylethyl)oxamide is sourced from PubChem (CID 108517854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).