4-[bis(2-methoxyethyl)amino]-1-piperazin-1-ylbutan-1-one

C14H29N3O3 — CID 39286712

IUPAC4-[bis(2-methoxyethyl)amino]-1-piperazin-1-ylbutan-1-one
SMILESCOCCN(CCCC(=O)N1CCNCC1)CCOC
InChIInChI=1S/C14H29N3O3/c1-19-12-10-16(11-13-20-2)7-3-4-14(18)17-8-5-15-6-9-17/h15H,3-13H2,1-2H3
InChIKeyLLTFQUSJSDQFTD-UHFFFAOYSA-N
MW287.40 g/mol
LogP-0.21
Rot. Bonds10

About 4-[bis(2-methoxyethyl)amino]-1-piperazin-1-ylbutan-1-one

4-[bis(2-methoxyethyl)amino]-1-piperazin-1-ylbutan-1-one (PubChem CID 39286712) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)amino]-1-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-[bis(2-methoxyethyl)amino]-1-piperazin-1-ylbutan-1-one
PubChem CID39286712
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name4-[bis(2-methoxyethyl)amino]-1-piperazin-1-ylbutan-1-one
SMILESCOCCN(CCCC(=O)N1CCNCC1)CCOC
InChIInChI=1S/C14H29N3O3/c1-19-12-10-16(11-13-20-2)7-3-4-14(18)17-8-5-15-6-9-17/h15H,3-13H2,1-2H3
InChIKeyLLTFQUSJSDQFTD-UHFFFAOYSA-N
XLogP-0.21
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-methoxyethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62542594
3-[3-methoxypropyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62985898
3-[bis(2-ethoxyethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 82960429
3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-piperazin-1-ylpropan-1-one
CID 163402844
3-[3-(2-methoxyethoxy)propoxy]-1-piperazin-1-ylpropan-1-one
CID 103402655
3-(dipropylamino)-1-piperazin-1-ylpropan-1-one
CID 39255849
1,10-di(piperazin-1-yl)decane-1,10-dione
CID 19981244
N-(3-methoxypropyl)-N-methylpiperazine-1-carboxamide
CID 62983933
2-[3-(5-methoxypentoxy)propoxy]-1-piperazin-1-ylethanone
CID 168969805
N-(2-methoxyethyl)-4-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779269
1-piperazin-1-ylpentadecan-1-one
CID 126705881
4-bromo-N-(2-methoxyethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779430

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methoxyethyl)amino]-1-piperazin-1-ylbutan-1-one?
The IUPAC name of 4-[bis(2-methoxyethyl)amino]-1-piperazin-1-ylbutan-1-one (CID 39286712) is 4-[bis(2-methoxyethyl)amino]-1-piperazin-1-ylbutan-1-one.
What is the SMILES notation for 4-[bis(2-methoxyethyl)amino]-1-piperazin-1-ylbutan-1-one?
The canonical SMILES for 4-[bis(2-methoxyethyl)amino]-1-piperazin-1-ylbutan-1-one is COCCN(CCCC(=O)N1CCNCC1)CCOC.
What is the InChIKey of 4-[bis(2-methoxyethyl)amino]-1-piperazin-1-ylbutan-1-one?
The InChIKey is LLTFQUSJSDQFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-19-12-10-16(11-13-20-2)7-3-4-14(18)17-8-5-15-6-9-17/h15H,3-13H2,1-2H3.
What are the key properties of 4-[bis(2-methoxyethyl)amino]-1-piperazin-1-ylbutan-1-one?
4-[bis(2-methoxyethyl)amino]-1-piperazin-1-ylbutan-1-one has a molecular weight of 287.40 g/mol, XLogP of -0.21, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methoxyethyl)amino]-1-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 39286712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).