3-[1-(butylcarbamoyl)piperidin-4-yl]oxypropanoic acid

C13H24N2O4 — CID 55251437

IUPAC3-[1-(butylcarbamoyl)piperidin-4-yl]oxypropanoic acid
SMILESCCCCNC(=O)N1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-2-3-7-14-13(18)15-8-4-11(5-9-15)19-10-6-12(16)17/h11H,2-10H2,1H3,(H,14,18)(H,16,17)
InChIKeyONPIIOQUEGFRQE-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.45
Rot. Bonds7

About 3-[1-(butylcarbamoyl)piperidin-4-yl]oxypropanoic acid

3-[1-(butylcarbamoyl)piperidin-4-yl]oxypropanoic acid (PubChem CID 55251437) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-[1-(butylcarbamoyl)piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-(butylcarbamoyl)piperidin-4-yl]oxypropanoic acid
PubChem CID55251437
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name3-[1-(butylcarbamoyl)piperidin-4-yl]oxypropanoic acid
SMILESCCCCNC(=O)N1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-2-3-7-14-13(18)15-8-4-11(5-9-15)19-10-6-12(16)17/h11H,2-10H2,1H3,(H,14,18)(H,16,17)
InChIKeyONPIIOQUEGFRQE-UHFFFAOYSA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-[2-(dimethylamino)ethylcarbamoyl]piperidin-4-yl]oxypropanoic acid
CID 63875054
3-[1-[2-(butylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid
CID 63904959
3-[1-(2-methylpropylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63877301
3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63874882
4-(azetidin-3-yloxy)-N-butylpiperidine-1-carboxamide
CID 165457542
4-butoxypiperidine-1-carboxylic acid
CID 69380286
4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
N-butylaziridine-1-carboxamide
CID 55206947
7-[(4-ethylpiperidine-1-carbonyl)amino]heptanoic acid
CID 61421852
3-[1-[3-(methylamino)propanoyl]piperidin-4-yl]oxypropanoic acid
CID 63876085
6-[(4-ethylpiperidine-1-carbonyl)amino]hexanoic acid
CID 61421416
4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122021638

Frequently Asked Questions

What is the IUPAC name of 3-[1-(butylcarbamoyl)piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-(butylcarbamoyl)piperidin-4-yl]oxypropanoic acid (CID 55251437) is 3-[1-(butylcarbamoyl)piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-(butylcarbamoyl)piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-(butylcarbamoyl)piperidin-4-yl]oxypropanoic acid is CCCCNC(=O)N1CCC(OCCC(=O)O)CC1.
What is the InChIKey of 3-[1-(butylcarbamoyl)piperidin-4-yl]oxypropanoic acid?
The InChIKey is ONPIIOQUEGFRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-2-3-7-14-13(18)15-8-4-11(5-9-15)19-10-6-12(16)17/h11H,2-10H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 3-[1-(butylcarbamoyl)piperidin-4-yl]oxypropanoic acid?
3-[1-(butylcarbamoyl)piperidin-4-yl]oxypropanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(butylcarbamoyl)piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 55251437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).