3-[1-[2-(dimethylamino)ethylcarbamoyl]piperidin-4-yl]oxypropanoic acid

C13H25N3O4 — CID 63875054

IUPAC3-[1-[2-(dimethylamino)ethylcarbamoyl]piperidin-4-yl]oxypropanoic acid
SMILESCN(C)CCNC(=O)N1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C13H25N3O4/c1-15(2)9-6-14-13(19)16-7-3-11(4-8-16)20-10-5-12(17)18/h11H,3-10H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyGWMHENCDXQWVBA-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.21
Rot. Bonds7

About 3-[1-[2-(dimethylamino)ethylcarbamoyl]piperidin-4-yl]oxypropanoic acid

3-[1-[2-(dimethylamino)ethylcarbamoyl]piperidin-4-yl]oxypropanoic acid (PubChem CID 63875054) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[1-[2-(dimethylamino)ethylcarbamoyl]piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-[2-(dimethylamino)ethylcarbamoyl]piperidin-4-yl]oxypropanoic acid
PubChem CID63875054
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name3-[1-[2-(dimethylamino)ethylcarbamoyl]piperidin-4-yl]oxypropanoic acid
SMILESCN(C)CCNC(=O)N1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C13H25N3O4/c1-15(2)9-6-14-13(19)16-7-3-11(4-8-16)20-10-5-12(17)18/h11H,3-10H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyGWMHENCDXQWVBA-UHFFFAOYSA-N
XLogP0.21
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(butylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 55251437
3-[1-(2-methylpropylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63877301
3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63874882
4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
3-[1-[3-(methylamino)propanoyl]piperidin-4-yl]oxypropanoic acid
CID 63876085
3-[1-(but-3-yn-2-ylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 114418420
3-[1-(1,3-thiazol-4-ylmethylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63876641
3-[1-[2-(ethylamino)acetyl]piperidin-4-yl]oxypropanoic acid
CID 63876082
3-[1-[cyclobutylmethyl(methyl)carbamoyl]piperidin-4-yl]oxypropanoic acid
CID 63876978
2-[1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63876279
3-[1-(4-aminopiperidine-1-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63875586
3-[1-(2-methylpropoxycarbonyl)piperidin-4-yl]oxypropanoic acid
CID 55251756

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(dimethylamino)ethylcarbamoyl]piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-[2-(dimethylamino)ethylcarbamoyl]piperidin-4-yl]oxypropanoic acid (CID 63875054) is 3-[1-[2-(dimethylamino)ethylcarbamoyl]piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-[2-(dimethylamino)ethylcarbamoyl]piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-[2-(dimethylamino)ethylcarbamoyl]piperidin-4-yl]oxypropanoic acid is CN(C)CCNC(=O)N1CCC(OCCC(=O)O)CC1.
What is the InChIKey of 3-[1-[2-(dimethylamino)ethylcarbamoyl]piperidin-4-yl]oxypropanoic acid?
The InChIKey is GWMHENCDXQWVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-15(2)9-6-14-13(19)16-7-3-11(4-8-16)20-10-5-12(17)18/h11H,3-10H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 3-[1-[2-(dimethylamino)ethylcarbamoyl]piperidin-4-yl]oxypropanoic acid?
3-[1-[2-(dimethylamino)ethylcarbamoyl]piperidin-4-yl]oxypropanoic acid has a molecular weight of 287.36 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(dimethylamino)ethylcarbamoyl]piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 63875054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).