3-[[(2-piperidin-4-yloxyacetyl)amino]methyl]pentanoic acid

C13H24N2O4 — CID 81072441

IUPAC3-[[(2-piperidin-4-yloxyacetyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)COC1CCNCC1)CC(=O)O
InChIInChI=1S/C13H24N2O4/c1-2-10(7-13(17)18)8-15-12(16)9-19-11-3-5-14-6-4-11/h10-11,14H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyGPHPIEKKBXQHTO-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.37
Rot. Bonds8

About 3-[[(2-piperidin-4-yloxyacetyl)amino]methyl]pentanoic acid

3-[[(2-piperidin-4-yloxyacetyl)amino]methyl]pentanoic acid (PubChem CID 81072441) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-[[(2-piperidin-4-yloxyacetyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(2-piperidin-4-yloxyacetyl)amino]methyl]pentanoic acid
PubChem CID81072441
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name3-[[(2-piperidin-4-yloxyacetyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)COC1CCNCC1)CC(=O)O
InChIInChI=1S/C13H24N2O4/c1-2-10(7-13(17)18)8-15-12(16)9-19-11-3-5-14-6-4-11/h10-11,14H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyGPHPIEKKBXQHTO-UHFFFAOYSA-N
XLogP0.37
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)propyl]-2-piperidin-4-yloxyacetamide
CID 63877258
N-[2-(dimethylamino)-3-ethylpentyl]-2-piperidin-4-yloxyacetamide
CID 63875883
3-methyl-2-[[(2-piperidin-4-yloxyacetyl)amino]methyl]butanoic acid
CID 65224385
3-[(piperidine-4-carbonylamino)methyl]pentanoic acid
CID 81072442
2-piperidin-4-yloxy-N-(2-piperidin-1-ylpropyl)acetamide
CID 63876570
3-[[(2-piperidin-3-ylacetyl)amino]methyl]pentanoic acid
CID 81073402
3-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]pentanoic acid
CID 81069336
N-(3-methylbutan-2-yl)-2-piperidin-4-yloxyacetamide
CID 61489309
N-(2-ethylhexyl)-3-piperidin-4-yloxypropanamide
CID 63904485
N-hydroxy-2-piperidin-4-yloxyacetamide
CID 63990799
N-(2-aminoethyl)-2-piperidin-4-yloxyacetamide
CID 63876226
N-methoxy-2-piperidin-4-yloxyacetamide
CID 64975041

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-piperidin-4-yloxyacetyl)amino]methyl]pentanoic acid?
The IUPAC name of 3-[[(2-piperidin-4-yloxyacetyl)amino]methyl]pentanoic acid (CID 81072441) is 3-[[(2-piperidin-4-yloxyacetyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(2-piperidin-4-yloxyacetyl)amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(2-piperidin-4-yloxyacetyl)amino]methyl]pentanoic acid is CCC(CNC(=O)COC1CCNCC1)CC(=O)O.
What is the InChIKey of 3-[[(2-piperidin-4-yloxyacetyl)amino]methyl]pentanoic acid?
The InChIKey is GPHPIEKKBXQHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-2-10(7-13(17)18)8-15-12(16)9-19-11-3-5-14-6-4-11/h10-11,14H,2-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-[[(2-piperidin-4-yloxyacetyl)amino]methyl]pentanoic acid?
3-[[(2-piperidin-4-yloxyacetyl)amino]methyl]pentanoic acid has a molecular weight of 272.34 g/mol, XLogP of 0.37, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-piperidin-4-yloxyacetyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 81072441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).