1-[2-[4-(methoxymethyl)piperidin-1-yl]acetyl]piperidine-4-carboxylic acid

C15H26N2O4 — CID 63972132

IUPAC1-[2-[4-(methoxymethyl)piperidin-1-yl]acetyl]piperidine-4-carboxylic acid
SMILESCOCC1CCN(CC(=O)N2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C15H26N2O4/c1-21-11-12-2-6-16(7-3-12)10-14(18)17-8-4-13(5-9-17)15(19)20/h12-13H,2-11H2,1H3,(H,19,20)
InChIKeyLEUQJBSZPYXLKX-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.67
Rot. Bonds5

About 1-[2-[4-(methoxymethyl)piperidin-1-yl]acetyl]piperidine-4-carboxylic acid

1-[2-[4-(methoxymethyl)piperidin-1-yl]acetyl]piperidine-4-carboxylic acid (PubChem CID 63972132) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[2-[4-(methoxymethyl)piperidin-1-yl]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[4-(methoxymethyl)piperidin-1-yl]acetyl]piperidine-4-carboxylic acid
PubChem CID63972132
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[2-[4-(methoxymethyl)piperidin-1-yl]acetyl]piperidine-4-carboxylic acid
SMILESCOCC1CCN(CC(=O)N2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C15H26N2O4/c1-21-11-12-2-6-16(7-3-12)10-14(18)17-8-4-13(5-9-17)15(19)20/h12-13H,2-11H2,1H3,(H,19,20)
InChIKeyLEUQJBSZPYXLKX-UHFFFAOYSA-N
XLogP0.67
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[4-(methoxymethyl)piperidin-1-yl]acetyl]piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid
CID 43441474
(1-ethylpiperidin-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 167010736
1-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxylic acid
CID 64568646
1-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 63977470
2-cyclopentyl-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 121091445
methyl 1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate
CID 47006242
1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid
CID 60702456
2-(1,4-diazepan-1-yl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64598090
2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid
CID 64599596
cis-(1S,3R)-3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 114092440
4-[[4-(methoxymethyl)azepane-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024551
2-[4-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 63971917

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(methoxymethyl)piperidin-1-yl]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[4-(methoxymethyl)piperidin-1-yl]acetyl]piperidine-4-carboxylic acid (CID 63972132) is 1-[2-[4-(methoxymethyl)piperidin-1-yl]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[4-(methoxymethyl)piperidin-1-yl]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[4-(methoxymethyl)piperidin-1-yl]acetyl]piperidine-4-carboxylic acid is COCC1CCN(CC(=O)N2CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 1-[2-[4-(methoxymethyl)piperidin-1-yl]acetyl]piperidine-4-carboxylic acid?
The InChIKey is LEUQJBSZPYXLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-21-11-12-2-6-16(7-3-12)10-14(18)17-8-4-13(5-9-17)15(19)20/h12-13H,2-11H2,1H3,(H,19,20).
What are the key properties of 1-[2-[4-(methoxymethyl)piperidin-1-yl]acetyl]piperidine-4-carboxylic acid?
1-[2-[4-(methoxymethyl)piperidin-1-yl]acetyl]piperidine-4-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(methoxymethyl)piperidin-1-yl]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 63972132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).