3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanamide

C13H28N4O — CID 63635414

IUPAC3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanamide
SMILESCCCNC(CN1CCN(CC)C(C)C1)C(N)=O
InChIInChI=1S/C13H28N4O/c1-4-6-15-12(13(14)18)10-16-7-8-17(5-2)11(3)9-16/h11-12,15H,4-10H2,1-3H3,(H2,14,18)
InChIKeyRLRQPRCRFJYRLJ-UHFFFAOYSA-N
MW256.39 g/mol
LogP-0.13
Rot. Bonds7

About 3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanamide

3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanamide (PubChem CID 63635414) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanamide.

Molecular Properties

Compound Name3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanamide
PubChem CID63635414
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanamide
SMILESCCCNC(CN1CCN(CC)C(C)C1)C(N)=O
InChIInChI=1S/C13H28N4O/c1-4-6-15-12(13(14)18)10-16-7-8-17(5-2)11(3)9-16/h11-12,15H,4-10H2,1-3H3,(H2,14,18)
InChIKeyRLRQPRCRFJYRLJ-UHFFFAOYSA-N
XLogP-0.13
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethyl-3-methylpiperazin-1-yl)-N-propylbutan-2-amine
CID 55216953
methyl 2-(cyclopropylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoate
CID 63635593
2-(propylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide
CID 62968259
2-(propylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide
CID 63009895
6-(4-ethyl-3-methylpiperazin-1-yl)-N-propylhexan-3-amine
CID 106799849
methyl 3-(3,4-dimethylpyrrolidin-1-yl)-2-(propylamino)propanoate
CID 79183530
2-(propylamino)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanamide
CID 102745496
2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanoic acid
CID 63927663
3-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)propanamide
CID 79183325
ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate
CID 63635250
2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid
CID 63620539
methyl 3-(3-ethyl-4-methylpiperazin-1-yl)-2-(propylamino)propanoate
CID 63633851

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanamide?
The IUPAC name of 3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanamide (CID 63635414) is 3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanamide.
What is the SMILES notation for 3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanamide?
The canonical SMILES for 3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanamide is CCCNC(CN1CCN(CC)C(C)C1)C(N)=O.
What is the InChIKey of 3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanamide?
The InChIKey is RLRQPRCRFJYRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-4-6-15-12(13(14)18)10-16-7-8-17(5-2)11(3)9-16/h11-12,15H,4-10H2,1-3H3,(H2,14,18).
What are the key properties of 3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanamide?
3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanamide has a molecular weight of 256.39 g/mol, XLogP of -0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanamide is sourced from PubChem (CID 63635414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).