5-(piperidine-4-carbonylamino)hexanoic acid

C12H22N2O3 — CID 82844939

IUPAC5-(piperidine-4-carbonylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)C1CCNCC1
InChIInChI=1S/C12H22N2O3/c1-9(3-2-4-11(15)16)14-12(17)10-5-7-13-8-6-10/h9-10,13H,2-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyFXJFXVFBLSKIJM-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.75
Rot. Bonds6

About 5-(piperidine-4-carbonylamino)hexanoic acid

5-(piperidine-4-carbonylamino)hexanoic acid (PubChem CID 82844939) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-(piperidine-4-carbonylamino)hexanoic acid.

Molecular Properties

Compound Name5-(piperidine-4-carbonylamino)hexanoic acid
PubChem CID82844939
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name5-(piperidine-4-carbonylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)C1CCNCC1
InChIInChI=1S/C12H22N2O3/c1-9(3-2-4-11(15)16)14-12(17)10-5-7-13-8-6-10/h9-10,13H,2-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyFXJFXVFBLSKIJM-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

5-(cyclopentanecarbonylamino)hexanoic acid
CID 82854691
3-(piperidine-4-carbonylamino)butanoic acid
CID 61161192
5-[(2-methylpiperidine-4-carbonyl)amino]hexanoic acid
CID 106740524
5-[[(3S)-piperidine-3-carbonyl]amino]hexanoic acid
CID 82846519
N-(5-methylhexan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119263583
N-(4-ethylsulfanylbutan-2-yl)piperidine-4-carboxamide
CID 115734464
5-[(5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
CID 83193053
5-(azepane-2-carbonylamino)hexanoic acid
CID 82844956
N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide
CID 63005264
5-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid
CID 114824579
2-(piperidine-4-carbonylamino)hexanoic acid
CID 61160247
(2R)-3,3-dimethyl-2-(piperidine-4-carbonylamino)butanoic acid
CID 103927215

Frequently Asked Questions

What is the IUPAC name of 5-(piperidine-4-carbonylamino)hexanoic acid?
The IUPAC name of 5-(piperidine-4-carbonylamino)hexanoic acid (CID 82844939) is 5-(piperidine-4-carbonylamino)hexanoic acid.
What is the SMILES notation for 5-(piperidine-4-carbonylamino)hexanoic acid?
The canonical SMILES for 5-(piperidine-4-carbonylamino)hexanoic acid is CC(CCCC(=O)O)NC(=O)C1CCNCC1.
What is the InChIKey of 5-(piperidine-4-carbonylamino)hexanoic acid?
The InChIKey is FXJFXVFBLSKIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(3-2-4-11(15)16)14-12(17)10-5-7-13-8-6-10/h9-10,13H,2-8H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 5-(piperidine-4-carbonylamino)hexanoic acid?
5-(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 5-(piperidine-4-carbonylamino)hexanoic acid is sourced from PubChem (CID 82844939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).