3-[1-(2,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid

C16H28N2O3 — CID 62332210

IUPAC3-[1-(2,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid
SMILESCC1CCN(C(=O)N2CCC(CCC(=O)O)CC2)C(C)C1
InChIInChI=1S/C16H28N2O3/c1-12-5-10-18(13(2)11-12)16(21)17-8-6-14(7-9-17)3-4-15(19)20/h12-14H,3-11H2,1-2H3,(H,19,20)
InChIKeyQPHMYTWCLLNKBM-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.80
Rot. Bonds3

About 3-[1-(2,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid

3-[1-(2,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid (PubChem CID 62332210) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-[1-(2,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid
PubChem CID62332210
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name3-[1-(2,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid
SMILESCC1CCN(C(=O)N2CCC(CCC(=O)O)CC2)C(C)C1
InChIInChI=1S/C16H28N2O3/c1-12-5-10-18(13(2)11-12)16(21)17-8-6-14(7-9-17)3-4-15(19)20/h12-14H,3-11H2,1-2H3,(H,19,20)
InChIKeyQPHMYTWCLLNKBM-UHFFFAOYSA-N
XLogP2.80
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2,3-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid
CID 62211352
1-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-methylpiperidine-4-carboxylic acid
CID 106743942
(2,4-dimethylpiperidin-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 116655527
3-[1-(thiomorpholine-4-carbonyl)piperidin-4-yl]propanoic acid
CID 55049567
4-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 62331638
1-(2,4-dimethylpiperidine-1-carbonyl)-4-ethylpiperidine-2-carboxylic acid
CID 114430350
4-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 62332382
3-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperidin-4-yl]propanoic acid
CID 115560814
2-[1-(2,4-dimethylpiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 62332214
1-(2,4-dimethylpiperidine-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63147979
3-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]propanoic acid
CID 62331863
3-[1-(4-methylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid
CID 115867224

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(2,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid (CID 62332210) is 3-[1-(2,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(2,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid is CC1CCN(C(=O)N2CCC(CCC(=O)O)CC2)C(C)C1.
What is the InChIKey of 3-[1-(2,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid?
The InChIKey is QPHMYTWCLLNKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-12-5-10-18(13(2)11-12)16(21)17-8-6-14(7-9-17)3-4-15(19)20/h12-14H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 3-[1-(2,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid?
3-[1-(2,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid has a molecular weight of 296.41 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62332210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).