6-(3-carbamoylpiperidin-1-yl)-6-oxohexanoic acid

C12H20N2O4 — CID 43447161

IUPAC6-(3-carbamoylpiperidin-1-yl)-6-oxohexanoic acid
SMILESNC(=O)C1CCCN(C(=O)CCCCC(=O)O)C1
InChIInChI=1S/C12H20N2O4/c13-12(18)9-4-3-7-14(8-9)10(15)5-1-2-6-11(16)17/h9H,1-8H2,(H2,13,18)(H,16,17)
InChIKeyKUNDJAQMXNVLRD-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.36
Rot. Bonds6

About 6-(3-carbamoylpiperidin-1-yl)-6-oxohexanoic acid

6-(3-carbamoylpiperidin-1-yl)-6-oxohexanoic acid (PubChem CID 43447161) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 6-(3-carbamoylpiperidin-1-yl)-6-oxohexanoic acid.

Molecular Properties

Compound Name6-(3-carbamoylpiperidin-1-yl)-6-oxohexanoic acid
PubChem CID43447161
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name6-(3-carbamoylpiperidin-1-yl)-6-oxohexanoic acid
SMILESNC(=O)C1CCCN(C(=O)CCCCC(=O)O)C1
InChIInChI=1S/C12H20N2O4/c13-12(18)9-4-3-7-14(8-9)10(15)5-1-2-6-11(16)17/h9H,1-8H2,(H2,13,18)(H,16,17)
InChIKeyKUNDJAQMXNVLRD-UHFFFAOYSA-N
XLogP0.36
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-carbamoylpiperidin-1-yl)-6-oxohexanoic acid?
The IUPAC name of 6-(3-carbamoylpiperidin-1-yl)-6-oxohexanoic acid (CID 43447161) is 6-(3-carbamoylpiperidin-1-yl)-6-oxohexanoic acid.
What is the SMILES notation for 6-(3-carbamoylpiperidin-1-yl)-6-oxohexanoic acid?
The canonical SMILES for 6-(3-carbamoylpiperidin-1-yl)-6-oxohexanoic acid is NC(=O)C1CCCN(C(=O)CCCCC(=O)O)C1.
What is the InChIKey of 6-(3-carbamoylpiperidin-1-yl)-6-oxohexanoic acid?
The InChIKey is KUNDJAQMXNVLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c13-12(18)9-4-3-7-14(8-9)10(15)5-1-2-6-11(16)17/h9H,1-8H2,(H2,13,18)(H,16,17).
What are the key properties of 6-(3-carbamoylpiperidin-1-yl)-6-oxohexanoic acid?
6-(3-carbamoylpiperidin-1-yl)-6-oxohexanoic acid has a molecular weight of 256.30 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-carbamoylpiperidin-1-yl)-6-oxohexanoic acid is sourced from PubChem (CID 43447161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).