5-(piperidine-1-carbonylamino)hexanoic acid

C12H22N2O3 — CID 82854268

IUPAC5-(piperidine-1-carbonylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)N1CCCCC1
InChIInChI=1S/C12H22N2O3/c1-10(6-5-7-11(15)16)13-12(17)14-8-3-2-4-9-14/h10H,2-9H2,1H3,(H,13,17)(H,15,16)
InChIKeyREWQEKMQXMKEFN-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.83
Rot. Bonds5

About 5-(piperidine-1-carbonylamino)hexanoic acid

5-(piperidine-1-carbonylamino)hexanoic acid (PubChem CID 82854268) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-(piperidine-1-carbonylamino)hexanoic acid.

Molecular Properties

Compound Name5-(piperidine-1-carbonylamino)hexanoic acid
PubChem CID82854268
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name5-(piperidine-1-carbonylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)N1CCCCC1
InChIInChI=1S/C12H22N2O3/c1-10(6-5-7-11(15)16)13-12(17)14-8-3-2-4-9-14/h10H,2-9H2,1H3,(H,13,17)(H,15,16)
InChIKeyREWQEKMQXMKEFN-UHFFFAOYSA-N
XLogP1.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3-hydroxypiperidine-1-carbonyl)amino]hexanoic acid
CID 82848661
N-heptan-2-ylpiperidine-1-carboxamide
CID 115578841
5-[(4-cyclopropylpiperazine-1-carbonyl)amino]hexanoic acid
CID 82847997
N-pentan-2-ylazepane-1-carboxamide
CID 115583076
N-octan-2-ylpyrrolidine-1-carboxamide
CID 56808053
4-[(4,4-dimethylazepane-1-carbonyl)amino]pentanoic acid
CID 65282846
N-(1-hydroxypropan-2-yl)azepane-1-carboxamide
CID 112729482
N-butan-2-ylpyrrolidine-1-carboxamide
CID 17217776
N-pent-4-yn-2-ylazepane-1-carboxamide
CID 115667497
N-[(2R)-1-aminopropan-2-yl]azepane-1-carboxamide
CID 96683108
5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]hexanoic acid
CID 82846094
5-(piperidin-1-ylsulfonylamino)hexanoic acid
CID 82854421

Frequently Asked Questions

What is the IUPAC name of 5-(piperidine-1-carbonylamino)hexanoic acid?
The IUPAC name of 5-(piperidine-1-carbonylamino)hexanoic acid (CID 82854268) is 5-(piperidine-1-carbonylamino)hexanoic acid.
What is the SMILES notation for 5-(piperidine-1-carbonylamino)hexanoic acid?
The canonical SMILES for 5-(piperidine-1-carbonylamino)hexanoic acid is CC(CCCC(=O)O)NC(=O)N1CCCCC1.
What is the InChIKey of 5-(piperidine-1-carbonylamino)hexanoic acid?
The InChIKey is REWQEKMQXMKEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-10(6-5-7-11(15)16)13-12(17)14-8-3-2-4-9-14/h10H,2-9H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 5-(piperidine-1-carbonylamino)hexanoic acid?
5-(piperidine-1-carbonylamino)hexanoic acid has a molecular weight of 242.32 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidine-1-carbonylamino)hexanoic acid is sourced from PubChem (CID 82854268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).