1-[2-(3-methoxypropylamino)acetyl]piperidine-4-carboxylic acid

C12H22N2O4 — CID 103237166

IUPAC1-[2-(3-methoxypropylamino)acetyl]piperidine-4-carboxylic acid
SMILESCOCCCNCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-18-8-2-5-13-9-11(15)14-6-3-10(4-7-14)12(16)17/h10,13H,2-9H2,1H3,(H,16,17)
InChIKeyMCAIOIYBLCBVNK-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.06
Rot. Bonds7

About 1-[2-(3-methoxypropylamino)acetyl]piperidine-4-carboxylic acid

1-[2-(3-methoxypropylamino)acetyl]piperidine-4-carboxylic acid (PubChem CID 103237166) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[2-(3-methoxypropylamino)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methoxypropylamino)acetyl]piperidine-4-carboxylic acid
PubChem CID103237166
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name1-[2-(3-methoxypropylamino)acetyl]piperidine-4-carboxylic acid
SMILESCOCCCNCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-18-8-2-5-13-9-11(15)14-6-3-10(4-7-14)12(16)17/h10,13H,2-9H2,1H3,(H,16,17)
InChIKeyMCAIOIYBLCBVNK-UHFFFAOYSA-N
XLogP-0.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxylic acid
CID 79280780
1-[2-(3-methylsulfanylpropylamino)acetyl]piperidine-4-carboxylic acid
CID 103252031
1-[2-[(2-methoxy-2-oxoethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103231226
1-[2-[(3-ethoxy-3-oxopropyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103245400
2-(2-methoxyethylamino)-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119675101
2-[3-(2-methoxyethoxy)propylamino]-1-morpholin-4-ylethanone
CID 113219536
1-[2-[[3-(dimethylamino)-3-oxopropyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103244738
1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid
CID 103869483
1-[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103237505
2-(4-methoxybutylamino)-1-morpholin-4-ylethanone
CID 60975832
1-[2-[3-(2-methoxyethoxy)propoxy]acetyl]piperidine-4-carboxylic acid
CID 103400775
1-(4-tert-butylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79280949

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypropylamino)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(3-methoxypropylamino)acetyl]piperidine-4-carboxylic acid (CID 103237166) is 1-[2-(3-methoxypropylamino)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methoxypropylamino)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(3-methoxypropylamino)acetyl]piperidine-4-carboxylic acid is COCCCNCC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-(3-methoxypropylamino)acetyl]piperidine-4-carboxylic acid?
The InChIKey is MCAIOIYBLCBVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-18-8-2-5-13-9-11(15)14-6-3-10(4-7-14)12(16)17/h10,13H,2-9H2,1H3,(H,16,17).
What are the key properties of 1-[2-(3-methoxypropylamino)acetyl]piperidine-4-carboxylic acid?
1-[2-(3-methoxypropylamino)acetyl]piperidine-4-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of -0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypropylamino)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 103237166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).