2,4-bis[4-(2-aminoethyl)piperazin-1-yl]pentan-3-one

C17H36N6O — CID 151041941

IUPAC2,4-bis[4-(2-aminoethyl)piperazin-1-yl]pentan-3-one
SMILESCC(C(=O)C(C)N1CCN(CCN)CC1)N1CCN(CCN)CC1
InChIInChI=1S/C17H36N6O/c1-15(22-11-7-20(5-3-18)8-12-22)17(24)16(2)23-13-9-21(6-4-19)10-14-23/h15-16H,3-14,18-19H2,1-2H3
InChIKeyMCGRXYRFLLVQIQ-UHFFFAOYSA-N
MW340.52 g/mol
LogP-1.51
Rot. Bonds8

About 2,4-bis[4-(2-aminoethyl)piperazin-1-yl]pentan-3-one

2,4-bis[4-(2-aminoethyl)piperazin-1-yl]pentan-3-one (PubChem CID 151041941) has the molecular formula C17H36N6O and a molecular weight of 340.52 g/mol. Its IUPAC name is 2,4-bis[4-(2-aminoethyl)piperazin-1-yl]pentan-3-one.

Molecular Properties

Compound Name2,4-bis[4-(2-aminoethyl)piperazin-1-yl]pentan-3-one
PubChem CID151041941
Molecular FormulaC17H36N6O
Molecular Weight340.52 g/mol
Exact Mass340.30
IUPAC Name2,4-bis[4-(2-aminoethyl)piperazin-1-yl]pentan-3-one
SMILESCC(C(=O)C(C)N1CCN(CCN)CC1)N1CCN(CCN)CC1
InChIInChI=1S/C17H36N6O/c1-15(22-11-7-20(5-3-18)8-12-22)17(24)16(2)23-13-9-21(6-4-19)10-14-23/h15-16H,3-14,18-19H2,1-2H3
InChIKeyMCGRXYRFLLVQIQ-UHFFFAOYSA-N
XLogP-1.51
TPSA82.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.52
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-dimethylpropanamide
CID 43252622
2-[4-(2-aminoethyl)piperazin-1-yl]-N-carbamoylpropanamide
CID 43252611
(2R,4R)-2,4-bis[4-(2-aminopropyl)piperazin-1-yl]pentan-3-one
CID 151842926
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one
CID 43252712
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)propanamide
CID 43252717
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-cyclopropylpropanamide
CID 43252701
2-[4-(2-aminoethyl)piperazin-1-yl]propanal
CID 174502098
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-butylpropanamide
CID 43252705
2-[4-(2-fluoroethyl)piperazin-1-yl]propanoic acid
CID 80695764
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(ethylcarbamoyl)propanamide
CID 43252708
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methoxyethyl)propanamide
CID 43252719
2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 4742453

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[4-(2-aminoethyl)piperazin-1-yl]pentan-3-one?
The IUPAC name of 2,4-bis[4-(2-aminoethyl)piperazin-1-yl]pentan-3-one (CID 151041941) is 2,4-bis[4-(2-aminoethyl)piperazin-1-yl]pentan-3-one.
What is the SMILES notation for 2,4-bis[4-(2-aminoethyl)piperazin-1-yl]pentan-3-one?
The canonical SMILES for 2,4-bis[4-(2-aminoethyl)piperazin-1-yl]pentan-3-one is CC(C(=O)C(C)N1CCN(CCN)CC1)N1CCN(CCN)CC1.
What is the InChIKey of 2,4-bis[4-(2-aminoethyl)piperazin-1-yl]pentan-3-one?
The InChIKey is MCGRXYRFLLVQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N6O/c1-15(22-11-7-20(5-3-18)8-12-22)17(24)16(2)23-13-9-21(6-4-19)10-14-23/h15-16H,3-14,18-19H2,1-2H3.
What are the key properties of 2,4-bis[4-(2-aminoethyl)piperazin-1-yl]pentan-3-one?
2,4-bis[4-(2-aminoethyl)piperazin-1-yl]pentan-3-one has a molecular weight of 340.52 g/mol, XLogP of -1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[4-(2-aminoethyl)piperazin-1-yl]pentan-3-one is sourced from PubChem (CID 151041941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).