5-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanoic acid

C15H31N3O2 — CID 63635242

IUPAC5-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CCCN1CCN(C)C(C)C1)C(=O)O
InChIInChI=1S/C15H31N3O2/c1-5-8-16-15(3,14(19)20)7-6-9-18-11-10-17(4)13(2)12-18/h13,16H,5-12H2,1-4H3,(H,19,20)
InChIKeyFCDUFJMOIQWJEC-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.25
Rot. Bonds8

About 5-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanoic acid

5-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanoic acid (PubChem CID 63635242) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 5-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanoic acid.

Molecular Properties

Compound Name5-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanoic acid
PubChem CID63635242
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name5-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CCCN1CCN(C)C(C)C1)C(=O)O
InChIInChI=1S/C15H31N3O2/c1-5-8-16-15(3,14(19)20)7-6-9-18-11-10-17(4)13(2)12-18/h13,16H,5-12H2,1-4H3,(H,19,20)
InChIKeyFCDUFJMOIQWJEC-UHFFFAOYSA-N
XLogP1.25
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanamide
CID 63635938
4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylbutanoic acid
CID 55218139
5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid
CID 106588666
2-(ethylamino)-2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid
CID 114539447
2-methyl-5-(1,4-oxazepan-4-yl)-2-(propylamino)pentanoic acid
CID 62973505
3-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(propylamino)propanoic acid
CID 63634896
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 79945721
N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-2-amine
CID 63609125
5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanamide
CID 106588668
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)pentanoic acid
CID 63026131
2-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)pentanamide
CID 62974573
6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexanamide
CID 102966457

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanoic acid?
The IUPAC name of 5-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanoic acid (CID 63635242) is 5-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanoic acid.
What is the SMILES notation for 5-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanoic acid?
The canonical SMILES for 5-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanoic acid is CCCNC(C)(CCCN1CCN(C)C(C)C1)C(=O)O.
What is the InChIKey of 5-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanoic acid?
The InChIKey is FCDUFJMOIQWJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-5-8-16-15(3,14(19)20)7-6-9-18-11-10-17(4)13(2)12-18/h13,16H,5-12H2,1-4H3,(H,19,20).
What are the key properties of 5-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanoic acid?
5-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanoic acid has a molecular weight of 285.43 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanoic acid is sourced from PubChem (CID 63635242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).