2-methyl-2-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]propanoic acid

C15H27N3O3 — CID 83199263

IUPAC2-methyl-2-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]propanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(C(=O)CN2CCNCC2)C1
InChIInChI=1S/C15H27N3O3/c1-15(2,14(20)21)12-4-3-7-18(10-12)13(19)11-17-8-5-16-6-9-17/h12,16H,3-11H2,1-2H3,(H,20,21)
InChIKeyUEYXTRXXQVXMDG-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.24
Rot. Bonds4

About 2-methyl-2-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]propanoic acid

2-methyl-2-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]propanoic acid (PubChem CID 83199263) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-methyl-2-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]propanoic acid
PubChem CID83199263
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-methyl-2-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]propanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(C(=O)CN2CCNCC2)C1
InChIInChI=1S/C15H27N3O3/c1-15(2,14(20)21)12-4-3-7-18(10-12)13(19)11-17-8-5-16-6-9-17/h12,16H,3-11H2,1-2H3,(H,20,21)
InChIKeyUEYXTRXXQVXMDG-UHFFFAOYSA-N
XLogP0.24
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylic acid
CID 81125395
2-methyl-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanoic acid
CID 83198658
2-methyl-2-[1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]propanoic acid
CID 83197951
2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197573
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-piperazin-1-ylethanone
CID 55166951
2-[1-(azetidine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197354
2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198260
ethyl 1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylate
CID 43130738
2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83198068
2-methyl-2-[1-(3-methylpiperidine-3-carbonyl)piperidin-3-yl]propanoic acid
CID 83199276
2-[1-(cycloheptanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198528
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-piperazin-1-ylethanone
CID 55169216

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]propanoic acid (CID 83199263) is 2-methyl-2-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]propanoic acid is CC(C)(C(=O)O)C1CCCN(C(=O)CN2CCNCC2)C1.
What is the InChIKey of 2-methyl-2-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]propanoic acid?
The InChIKey is UEYXTRXXQVXMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-15(2,14(20)21)12-4-3-7-18(10-12)13(19)11-17-8-5-16-6-9-17/h12,16H,3-11H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-2-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]propanoic acid?
2-methyl-2-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]propanoic acid has a molecular weight of 297.40 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 83199263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).