6-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-oxohexanoic acid

C14H26N2O3 — CID 107163135

IUPAC6-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-oxohexanoic acid
SMILESCN1CCC(C)(CNC(=O)CCCCC(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-14(7-9-16(2)10-8-14)11-15-12(17)5-3-4-6-13(18)19/h3-11H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyWXWNAYWACOSVNZ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.48
Rot. Bonds7

About 6-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-oxohexanoic acid

6-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-oxohexanoic acid (PubChem CID 107163135) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 6-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-oxohexanoic acid
PubChem CID107163135
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name6-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-oxohexanoic acid
SMILESCN1CCC(C)(CNC(=O)CCCCC(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-14(7-9-16(2)10-8-14)11-15-12(17)5-3-4-6-13(18)19/h3-11H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyWXWNAYWACOSVNZ-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.48
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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Related Compounds

3-[(1,4-dimethylpiperidin-4-yl)methylamino]-3-oxopropanoic acid
CID 104889410
5-[(1-methylcyclopentyl)methylamino]-5-oxopentanoic acid
CID 63822209
N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(ethylamino)propanamide
CID 107164032
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylsulfonylacetamide
CID 136521862
2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 104920672
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 107163946
3-[(1,4-dimethylpiperidin-4-yl)methyl]-1,1-dimethylurea
CID 103993093
6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid
CID 83116908
6-[(1-ethylcyclopentyl)methylamino]-6-oxohexanoic acid
CID 114124800
5-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanamide
CID 114281626
2-(2-aminoethoxy)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 107164001
2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl-prop-2-enylamino]acetic acid
CID 107164806

Frequently Asked Questions

What is the IUPAC name of 6-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-oxohexanoic acid?
The IUPAC name of 6-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-oxohexanoic acid (CID 107163135) is 6-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-oxohexanoic acid?
The canonical SMILES for 6-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-oxohexanoic acid is CN1CCC(C)(CNC(=O)CCCCC(=O)O)CC1.
What is the InChIKey of 6-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-oxohexanoic acid?
The InChIKey is WXWNAYWACOSVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(7-9-16(2)10-8-14)11-15-12(17)5-3-4-6-13(18)19/h3-11H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 6-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-oxohexanoic acid?
6-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-oxohexanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-oxohexanoic acid is sourced from PubChem (CID 107163135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).