2-[1-(3-methoxypiperidine-1-carbonyl)piperidin-4-yl]acetic acid

C14H24N2O4 — CID 102963039

IUPAC2-[1-(3-methoxypiperidine-1-carbonyl)piperidin-4-yl]acetic acid
SMILESCOC1CCCN(C(=O)N2CCC(CC(=O)O)CC2)C1
InChIInChI=1S/C14H24N2O4/c1-20-12-3-2-6-16(10-12)14(19)15-7-4-11(5-8-15)9-13(17)18/h11-12H,2-10H2,1H3,(H,17,18)
InChIKeyPHECQJGLMPIUKH-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.40
Rot. Bonds3

About 2-[1-(3-methoxypiperidine-1-carbonyl)piperidin-4-yl]acetic acid

2-[1-(3-methoxypiperidine-1-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 102963039) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[1-(3-methoxypiperidine-1-carbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-methoxypiperidine-1-carbonyl)piperidin-4-yl]acetic acid
PubChem CID102963039
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[1-(3-methoxypiperidine-1-carbonyl)piperidin-4-yl]acetic acid
SMILESCOC1CCCN(C(=O)N2CCC(CC(=O)O)CC2)C1
InChIInChI=1S/C14H24N2O4/c1-20-12-3-2-6-16(10-12)14(19)15-7-4-11(5-8-15)9-13(17)18/h11-12H,2-10H2,1H3,(H,17,18)
InChIKeyPHECQJGLMPIUKH-UHFFFAOYSA-N
XLogP1.40
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid
CID 79608844
3-[1-(3-methoxypyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 103536351
4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid
CID 129412716
2-[1-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-3-yl]acetic acid
CID 103500361
2-[1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
CID 112626827
4-ethyl-1-(3-methoxypiperidine-1-carbonyl)piperidine-2-carboxylic acid
CID 102963044
2-[1-(4,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 79605697
2-amino-1-(3-methoxypiperidin-1-yl)ethanone
CID 66564450
3-methoxypiperidine-1-carbonyl chloride
CID 102969135
2-[1-(4-methoxypiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370775
2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64617041
2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 79181595

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxypiperidine-1-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(3-methoxypiperidine-1-carbonyl)piperidin-4-yl]acetic acid (CID 102963039) is 2-[1-(3-methoxypiperidine-1-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-methoxypiperidine-1-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(3-methoxypiperidine-1-carbonyl)piperidin-4-yl]acetic acid is COC1CCCN(C(=O)N2CCC(CC(=O)O)CC2)C1.
What is the InChIKey of 2-[1-(3-methoxypiperidine-1-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is PHECQJGLMPIUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-20-12-3-2-6-16(10-12)14(19)15-7-4-11(5-8-15)9-13(17)18/h11-12H,2-10H2,1H3,(H,17,18).
What are the key properties of 2-[1-(3-methoxypiperidine-1-carbonyl)piperidin-4-yl]acetic acid?
2-[1-(3-methoxypiperidine-1-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 284.36 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxypiperidine-1-carbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 102963039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).