5-methyl-3-[(piperidine-2-carbonylamino)methyl]hexanoic acid

C14H26N2O3 — CID 65493308

IUPAC5-methyl-3-[(piperidine-2-carbonylamino)methyl]hexanoic acid
SMILESCC(C)CC(CNC(=O)C1CCCCN1)CC(=O)O
InChIInChI=1S/C14H26N2O3/c1-10(2)7-11(8-13(17)18)9-16-14(19)12-5-3-4-6-15-12/h10-12,15H,3-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyYIBJJADESILGNG-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.38
Rot. Bonds7

About 5-methyl-3-[(piperidine-2-carbonylamino)methyl]hexanoic acid

5-methyl-3-[(piperidine-2-carbonylamino)methyl]hexanoic acid (PubChem CID 65493308) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 5-methyl-3-[(piperidine-2-carbonylamino)methyl]hexanoic acid.

Molecular Properties

Compound Name5-methyl-3-[(piperidine-2-carbonylamino)methyl]hexanoic acid
PubChem CID65493308
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name5-methyl-3-[(piperidine-2-carbonylamino)methyl]hexanoic acid
SMILESCC(C)CC(CNC(=O)C1CCCCN1)CC(=O)O
InChIInChI=1S/C14H26N2O3/c1-10(2)7-11(8-13(17)18)9-16-14(19)12-5-3-4-6-15-12/h10-12,15H,3-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyYIBJJADESILGNG-UHFFFAOYSA-N
XLogP1.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(piperidine-2-carbonylamino)methyl]hexanoic acid?
The IUPAC name of 5-methyl-3-[(piperidine-2-carbonylamino)methyl]hexanoic acid (CID 65493308) is 5-methyl-3-[(piperidine-2-carbonylamino)methyl]hexanoic acid.
What is the SMILES notation for 5-methyl-3-[(piperidine-2-carbonylamino)methyl]hexanoic acid?
The canonical SMILES for 5-methyl-3-[(piperidine-2-carbonylamino)methyl]hexanoic acid is CC(C)CC(CNC(=O)C1CCCCN1)CC(=O)O.
What is the InChIKey of 5-methyl-3-[(piperidine-2-carbonylamino)methyl]hexanoic acid?
The InChIKey is YIBJJADESILGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)7-11(8-13(17)18)9-16-14(19)12-5-3-4-6-15-12/h10-12,15H,3-9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 5-methyl-3-[(piperidine-2-carbonylamino)methyl]hexanoic acid?
5-methyl-3-[(piperidine-2-carbonylamino)methyl]hexanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(piperidine-2-carbonylamino)methyl]hexanoic acid is sourced from PubChem (CID 65493308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).