5-[(3-hydroxypiperidine-1-carbonyl)amino]hexanoic acid

C12H22N2O4 — CID 82848661

IUPAC5-[(3-hydroxypiperidine-1-carbonyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)N1CCCC(O)C1
InChIInChI=1S/C12H22N2O4/c1-9(4-2-6-11(16)17)13-12(18)14-7-3-5-10(15)8-14/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyMCPATLWXAAWJJL-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.80
Rot. Bonds5

About 5-[(3-hydroxypiperidine-1-carbonyl)amino]hexanoic acid

5-[(3-hydroxypiperidine-1-carbonyl)amino]hexanoic acid (PubChem CID 82848661) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-[(3-hydroxypiperidine-1-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(3-hydroxypiperidine-1-carbonyl)amino]hexanoic acid
PubChem CID82848661
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name5-[(3-hydroxypiperidine-1-carbonyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)N1CCCC(O)C1
InChIInChI=1S/C12H22N2O4/c1-9(4-2-6-11(16)17)13-12(18)14-7-3-5-10(15)8-14/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyMCPATLWXAAWJJL-UHFFFAOYSA-N
XLogP0.80
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(piperidine-1-carbonylamino)hexanoic acid
CID 82854268
3-hydroxy-N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 78892643
5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]hexanoic acid
CID 82846094
3-[1-(hexan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid
CID 62199708
5-[(4-cyclopropylpiperazine-1-carbonyl)amino]hexanoic acid
CID 82847997
2-[(3-hydroxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61438947
N-hexan-2-yl-3-methylpiperidine-1-carboxamide
CID 116655502
3-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]pyrrolidine-1-carboxamide
CID 130609050
5-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]hexanoic acid
CID 82848014
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)hexanoic acid
CID 82848019
3-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]propanoic acid
CID 61439141
3-[1-(1-methylsulfonylpropan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid
CID 64643622

Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxypiperidine-1-carbonyl)amino]hexanoic acid?
The IUPAC name of 5-[(3-hydroxypiperidine-1-carbonyl)amino]hexanoic acid (CID 82848661) is 5-[(3-hydroxypiperidine-1-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 5-[(3-hydroxypiperidine-1-carbonyl)amino]hexanoic acid?
The canonical SMILES for 5-[(3-hydroxypiperidine-1-carbonyl)amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)N1CCCC(O)C1.
What is the InChIKey of 5-[(3-hydroxypiperidine-1-carbonyl)amino]hexanoic acid?
The InChIKey is MCPATLWXAAWJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-9(4-2-6-11(16)17)13-12(18)14-7-3-5-10(15)8-14/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 5-[(3-hydroxypiperidine-1-carbonyl)amino]hexanoic acid?
5-[(3-hydroxypiperidine-1-carbonyl)amino]hexanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-hydroxypiperidine-1-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 82848661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).