2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylacetamide

C13H26N4O2 — CID 62543748

IUPAC2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CCC(=O)N1CCNCC1
InChIInChI=1S/C13H26N4O2/c1-3-5-15-12(18)11-16(2)8-4-13(19)17-9-6-14-7-10-17/h14H,3-11H2,1-2H3,(H,15,18)
InChIKeyOJQOWMRKUBKBOH-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.73
Rot. Bonds7

About 2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylacetamide

2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylacetamide (PubChem CID 62543748) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylacetamide
PubChem CID62543748
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CCC(=O)N1CCNCC1
InChIInChI=1S/C13H26N4O2/c1-3-5-15-12(18)11-16(2)8-4-13(19)17-9-6-14-7-10-17/h14H,3-11H2,1-2H3,(H,15,18)
InChIKeyOJQOWMRKUBKBOH-UHFFFAOYSA-N
XLogP-0.73
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-4-oxo-4-piperazin-1-ylbutanamide
CID 39255839
3-(dipropylamino)-1-piperazin-1-ylpropan-1-one
CID 39255849
4-(3-methylpiperazin-1-yl)-4-oxo-N-propylbutanamide
CID 119579732
N-(cyanomethyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54903898
2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-(4-methylphenyl)acetamide;hydrochloride
CID 120980303
N-(4-oxo-4-piperazin-1-ylbutyl)propanamide
CID 28709367
4-[[2-[methyl(2-piperazin-1-ylethyl)amino]acetyl]amino]butanoic acid
CID 63265218
3-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 63864805
N-(3,5-dimethoxyphenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide;hydrochloride
CID 120982133
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380
N-butan-2-yl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54904286
3-[2-methoxyethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62542594

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylacetamide?
The IUPAC name of 2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylacetamide (CID 62543748) is 2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylacetamide?
The canonical SMILES for 2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylacetamide is CCCNC(=O)CN(C)CCC(=O)N1CCNCC1.
What is the InChIKey of 2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylacetamide?
The InChIKey is OJQOWMRKUBKBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-3-5-15-12(18)11-16(2)8-4-13(19)17-9-6-14-7-10-17/h14H,3-11H2,1-2H3,(H,15,18).
What are the key properties of 2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylacetamide?
2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylacetamide has a molecular weight of 270.38 g/mol, XLogP of -0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylacetamide is sourced from PubChem (CID 62543748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).