3-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]propanoic acid

C15H29N3O2 — CID 82892323

IUPAC3-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]propanoic acid
SMILESCN1CCN(CCN2CCCC(CCC(=O)O)C2)CC1
InChIInChI=1S/C15H29N3O2/c1-16-7-9-17(10-8-16)11-12-18-6-2-3-14(13-18)4-5-15(19)20/h14H,2-13H2,1H3,(H,19,20)
InChIKeyNGBYWZDVSCTNTN-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.81
Rot. Bonds6

About 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]propanoic acid

3-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]propanoic acid (PubChem CID 82892323) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]propanoic acid
PubChem CID82892323
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name3-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]propanoic acid
SMILESCN1CCN(CCN2CCCC(CCC(=O)O)C2)CC1
InChIInChI=1S/C15H29N3O2/c1-16-7-9-17(10-8-16)11-12-18-6-2-3-14(13-18)4-5-15(19)20/h14H,2-13H2,1H3,(H,19,20)
InChIKeyNGBYWZDVSCTNTN-UHFFFAOYSA-N
XLogP0.81
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanoic acid
CID 82892628
3-[1-(2-cyclopentylethyl)piperidin-3-yl]propanoic acid
CID 114191537
3-[1-(3-hydroxy-3-methylbutyl)piperidin-3-yl]propanoic acid
CID 79356125
3-[1-[2-(4-methylphenyl)ethyl]piperidin-3-yl]propanoic acid
CID 122101094
3-[1-(2-hydroxy-2-methylbutyl)piperidin-3-yl]propanoic acid
CID 114494868
3-[3-(fluoromethyl)piperidin-1-yl]propanoic acid
CID 121200949
3-(aziridin-1-yl)propanoic acid;1-methylpiperidin-3-ol
CID 21128423
3-[(3S)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]propanoic acid
CID 97102083
N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 82891574
3-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]propanoic acid
CID 63988655
4-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]butanoic acid
CID 129379773
2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 55064854

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]propanoic acid (CID 82892323) is 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]propanoic acid is CN1CCN(CCN2CCCC(CCC(=O)O)C2)CC1.
What is the InChIKey of 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]propanoic acid?
The InChIKey is NGBYWZDVSCTNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-16-7-9-17(10-8-16)11-12-18-6-2-3-14(13-18)4-5-15(19)20/h14H,2-13H2,1H3,(H,19,20).
What are the key properties of 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]propanoic acid?
3-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]propanoic acid has a molecular weight of 283.42 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 82892323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).