2-[2-[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-yl]-2-oxoethoxy]acetic acid

C16H26N2O6 — CID 3471110

IUPAC2-[2-[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-yl]-2-oxoethoxy]acetic acid
SMILESCOC(=O)C1CCN(C2CCN(C(=O)COCC(=O)O)CC2)CC1
InChIInChI=1S/C16H26N2O6/c1-23-16(22)12-2-6-17(7-3-12)13-4-8-18(9-5-13)14(19)10-24-11-15(20)21/h12-13H,2-11H2,1H3,(H,20,21)
InChIKeyZUFZTPNXOQBERQ-UHFFFAOYSA-N
MW342.39 g/mol
LogP-0.04
Rot. Bonds6

About 2-[2-[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-yl]-2-oxoethoxy]acetic acid

2-[2-[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-yl]-2-oxoethoxy]acetic acid (PubChem CID 3471110) has the molecular formula C16H26N2O6 and a molecular weight of 342.39 g/mol. Its IUPAC name is 2-[2-[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-yl]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-yl]-2-oxoethoxy]acetic acid
PubChem CID3471110
Molecular FormulaC16H26N2O6
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC Name2-[2-[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-yl]-2-oxoethoxy]acetic acid
SMILESCOC(=O)C1CCN(C2CCN(C(=O)COCC(=O)O)CC2)CC1
InChIInChI=1S/C16H26N2O6/c1-23-16(22)12-2-6-17(7-3-12)13-4-8-18(9-5-13)14(19)10-24-11-15(20)21/h12-13H,2-11H2,1H3,(H,20,21)
InChIKeyZUFZTPNXOQBERQ-UHFFFAOYSA-N
XLogP-0.04
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 4-[4-(3-oxomorpholin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 134797535
Ethyl 1-[2-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethoxy]acetyl]piperidine-4-carboxylate
CID 4060669
[2-(Dimethylamino)-2-oxoethyl] 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate
CID 58135875
[2-(Dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate
CID 58135999
2-[2-[2-[(2S,4S)-4-methoxycarbonyl-2-methylpiperidin-1-yl]-2-oxoethoxy]ethoxy]acetic acid
CID 142457414
2-[2-[2-(4-Methoxycarbonyl-2-methylpiperidin-1-yl)-2-oxoethoxy]ethoxy]acetic acid
CID 146429037
2-[2-[2-[2-(4-Methoxycarbonyl-2-methylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]acetic acid
CID 146429040
[1-(2-Methylpropyl)piperidin-4-yl]-morpholin-4-ylmethanone;oxalic acid
CID 2903481
3-Methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one;oxalic acid
CID 2911880
{2-[4-(Ethoxycarbonyl)piperidin-1-yl]-2-oxoethoxy}acetic acid
CID 7334590
1-[2-(2-Methoxyethoxy)acetyl]piperidine-4-carboxylic acid
CID 43354279
1-[2-(2-Propoxyethoxy)acetyl]piperidine-4-carboxylic acid
CID 55233846

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-yl]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-yl]-2-oxoethoxy]acetic acid (CID 3471110) is 2-[2-[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-yl]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-yl]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-yl]-2-oxoethoxy]acetic acid is COC(=O)C1CCN(C2CCN(C(=O)COCC(=O)O)CC2)CC1.
What is the InChIKey of 2-[2-[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-yl]-2-oxoethoxy]acetic acid?
The InChIKey is ZUFZTPNXOQBERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O6/c1-23-16(22)12-2-6-17(7-3-12)13-4-8-18(9-5-13)14(19)10-24-11-15(20)21/h12-13H,2-11H2,1H3,(H,20,21).
What are the key properties of 2-[2-[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-yl]-2-oxoethoxy]acetic acid?
2-[2-[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-yl]-2-oxoethoxy]acetic acid has a molecular weight of 342.39 g/mol, XLogP of -0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-yl]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 3471110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).