2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one

C14H26N4O2 — CID 61441971

IUPAC2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCNCC1)N(C)CC(=O)N1CCCC1
InChIInChI=1S/C14H26N4O2/c1-12(14(20)18-9-5-15-6-10-18)16(2)11-13(19)17-7-3-4-8-17/h12,15H,3-11H2,1-2H3
InChIKeyYIOSNXIFKABDNX-UHFFFAOYSA-N
MW282.39 g/mol
LogP-0.64
Rot. Bonds4

About 2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one

2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one (PubChem CID 61441971) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one
PubChem CID61441971
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCNCC1)N(C)CC(=O)N1CCCC1
InChIInChI=1S/C14H26N4O2/c1-12(14(20)18-9-5-15-6-10-18)16(2)11-13(19)17-7-3-4-8-17/h12,15H,3-11H2,1-2H3
InChIKeyYIOSNXIFKABDNX-UHFFFAOYSA-N
XLogP-0.64
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 61018825
2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone
CID 24701593
2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43263438
2-[methyl(propyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43271283
2-[methyl(piperidin-4-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 79716618
N,N-dimethyl-2-[methyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]acetamide
CID 78809290
N-(methylcarbamoyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]propanamide;hydrochloride
CID 119915218
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
N-(2-methylbutan-2-yl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]propanamide
CID 61018696
2-[methyl(oxolan-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 61432130
2-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylethanone
CID 61018802
2-[2-hydroxyethyl(methyl)amino]-1-piperidin-1-ylpropan-1-one
CID 60683953

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one (CID 61441971) is 2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one is CC(C(=O)N1CCNCC1)N(C)CC(=O)N1CCCC1.
What is the InChIKey of 2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one?
The InChIKey is YIOSNXIFKABDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-12(14(20)18-9-5-15-6-10-18)16(2)11-13(19)17-7-3-4-8-17/h12,15H,3-11H2,1-2H3.
What are the key properties of 2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one?
2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one has a molecular weight of 282.39 g/mol, XLogP of -0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 61441971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).