2-(piperidine-4-carbonylamino)hexanoic acid

C12H22N2O3 — CID 61160247

IUPAC2-(piperidine-4-carbonylamino)hexanoic acid
SMILESCCCCC(NC(=O)C1CCNCC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-2-3-4-10(12(16)17)14-11(15)9-5-7-13-8-6-9/h9-10,13H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyJESBJLFHZRTQAL-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.75
Rot. Bonds6

About 2-(piperidine-4-carbonylamino)hexanoic acid

2-(piperidine-4-carbonylamino)hexanoic acid (PubChem CID 61160247) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(piperidine-4-carbonylamino)hexanoic acid.

Molecular Properties

Compound Name2-(piperidine-4-carbonylamino)hexanoic acid
PubChem CID61160247
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-(piperidine-4-carbonylamino)hexanoic acid
SMILESCCCCC(NC(=O)C1CCNCC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-2-3-4-10(12(16)17)14-11(15)9-5-7-13-8-6-9/h9-10,13H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyJESBJLFHZRTQAL-UHFFFAOYSA-N
XLogP0.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(pyrrolidine-3-carbonylamino)hexanoic acid
CID 107146972
(2S)-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]hexanoic acid
CID 120615417
(2S)-2-(cyclopent-3-ene-1-carbonylamino)hexanoic acid
CID 107144689
3-(1-carboxypentylcarbamoyl)-5-[[(1S)-1-carboxypentyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 143048092
2-(3-piperidin-4-yloxypropanoylamino)hexanoic acid
CID 63875636
2-(oxolane-3-carbonylamino)hexanoic acid
CID 61271265
(2R)-2-[(4-butylcyclohexanecarbonyl)amino]pentanoic acid
CID 107563614
4-phenyl-2-(piperidine-4-carbonylamino)butanoic acid
CID 114917637
(2R)-4-hydroxy-2-(pyrrolidine-3-carbonylamino)butanoic acid
CID 107825270
(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]pentanoic acid
CID 107565163
2-[(2-cyclopropylacetyl)amino]hexanoic acid
CID 43469695
N-(2-ethylhexyl)piperidine-4-carboxamide
CID 61249053

Frequently Asked Questions

What is the IUPAC name of 2-(piperidine-4-carbonylamino)hexanoic acid?
The IUPAC name of 2-(piperidine-4-carbonylamino)hexanoic acid (CID 61160247) is 2-(piperidine-4-carbonylamino)hexanoic acid.
What is the SMILES notation for 2-(piperidine-4-carbonylamino)hexanoic acid?
The canonical SMILES for 2-(piperidine-4-carbonylamino)hexanoic acid is CCCCC(NC(=O)C1CCNCC1)C(=O)O.
What is the InChIKey of 2-(piperidine-4-carbonylamino)hexanoic acid?
The InChIKey is JESBJLFHZRTQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-3-4-10(12(16)17)14-11(15)9-5-7-13-8-6-9/h9-10,13H,2-8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(piperidine-4-carbonylamino)hexanoic acid?
2-(piperidine-4-carbonylamino)hexanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidine-4-carbonylamino)hexanoic acid is sourced from PubChem (CID 61160247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).