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

C16H28N2O3 — CID 63129046

IUPAC3-[1-(4-ethylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid
SMILESCCC1(C(=O)N2CCCCC2CCC(=O)O)CCNCC1
InChIInChI=1S/C16H28N2O3/c1-2-16(8-10-17-11-9-16)15(21)18-12-4-3-5-13(18)6-7-14(19)20/h13,17H,2-12H2,1H3,(H,19,20)
InChIKeyMXSHSYDRQWPLBY-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.01
Rot. Bonds5

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

3-[1-(4-ethylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid (PubChem CID 63129046) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-[1-(4-ethylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(4-ethylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid
PubChem CID63129046
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name3-[1-(4-ethylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid
SMILESCCC1(C(=O)N2CCCCC2CCC(=O)O)CCNCC1
InChIInChI=1S/C16H28N2O3/c1-2-16(8-10-17-11-9-16)15(21)18-12-4-3-5-13(18)6-7-14(19)20/h13,17H,2-12H2,1H3,(H,19,20)
InChIKeyMXSHSYDRQWPLBY-UHFFFAOYSA-N
XLogP2.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-propylpyrrolidine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 63142470
1-(4-ethylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64562121
2-[1-(3-ethylpyrrolidine-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 55164770
(3-ethylpiperidin-3-yl)-(2-propylpiperidin-1-yl)methanone
CID 83052876
(2R)-1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78925392
(3-ethylpyrrolidin-3-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 63141995
(2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
CID 66264088
[2-(aminomethyl)azepan-1-yl]-(1-ethylcyclopentyl)methanone
CID 116639879
3-[1-(2-methylsulfanylacetyl)piperidin-2-yl]propanoic acid
CID 62217465
(2S)-1-(4-propylpiperidine-4-carbonyl)piperidine-2-carboxylic acid
CID 66264087
methyl 1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate
CID 63128448
3-[1-[(1-methylcyclopropyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 113485751

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(4-ethylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid (CID 63129046) is 3-[1-(4-ethylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(4-ethylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(4-ethylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid is CCC1(C(=O)N2CCCCC2CCC(=O)O)CCNCC1.
What is the InChIKey of 3-[1-(4-ethylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid?
The InChIKey is MXSHSYDRQWPLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-16(8-10-17-11-9-16)15(21)18-12-4-3-5-13(18)6-7-14(19)20/h13,17H,2-12H2,1H3,(H,19,20).
What are the key properties of 3-[1-(4-ethylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid?
3-[1-(4-ethylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid has a molecular weight of 296.41 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 63129046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).