4-[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-yl]-4-oxobutanoic acid

C16H26N2O5 — CID 3471109

IUPAC4-[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-yl]-4-oxobutanoic acid
SMILESCOC(=O)C1CCN(C2CCN(C(=O)CCC(=O)O)CC2)CC1
InChIInChI=1S/C16H26N2O5/c1-23-16(22)12-4-8-17(9-5-12)13-6-10-18(11-7-13)14(19)2-3-15(20)21/h12-13H,2-11H2,1H3,(H,20,21)
InChIKeyOUYUWXZOHDKSTJ-UHFFFAOYSA-N
MW326.39 g/mol
LogP0.73
Rot. Bonds5

About 4-[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-yl]-4-oxobutanoic acid

4-[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-yl]-4-oxobutanoic acid (PubChem CID 3471109) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is 4-[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-yl]-4-oxobutanoic acid
PubChem CID3471109
Molecular FormulaC16H26N2O5
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name4-[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-yl]-4-oxobutanoic acid
SMILESCOC(=O)C1CCN(C2CCN(C(=O)CCC(=O)O)CC2)CC1
InChIInChI=1S/C16H26N2O5/c1-23-16(22)12-4-8-17(9-5-12)13-6-10-18(11-7-13)14(19)2-3-15(20)21/h12-13H,2-11H2,1H3,(H,20,21)
InChIKeyOUYUWXZOHDKSTJ-UHFFFAOYSA-N
XLogP0.73
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1'-(tert-Butoxycarbonyl)-[1,4'-bipiperidine]-4-carboxylic acid
CID 51063818
Isonipecotic acid, N-(N'-methoxycarbonylisonipecotinoyl)-, methyl ester
CID 91732505
4-(4-(Methoxycarbonyl)piperidin-1-yl)-4-oxobutanoic acid
CID 1475085
4-(4-Ethoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid
CID 3612040
1-(1-Butoxycarbonylpiperidin-4-yl)piperidine-4-carboxylic acid
CID 17851966
3-(4-Piperidinopiperidinocarbonyl)propionic acid
CID 19358571
1-[1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 21892290
4-Oxo-4-piperidin-1-yl-3-(piperidin-1-ylmethyl)butanoic acid
CID 22466944
4-(4-Methylpiperazin-1-yl)-4-oxo-3-(piperidin-1-ylmethyl)butanoic acid
CID 22467106
1-((1-(tert-Butoxycarbonyl)piperidin-4-yl)methyl)piperidine-4-carboxylic acid
CID 45036923
1-[(1-Methylpiperidin-4-yl)carbonyl]piperidine-4-carboxylic acid
CID 53215781
4-[4-(1-Methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoic acid
CID 58135798

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-yl]-4-oxobutanoic acid (CID 3471109) is 4-[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-yl]-4-oxobutanoic acid is COC(=O)C1CCN(C2CCN(C(=O)CCC(=O)O)CC2)CC1.
What is the InChIKey of 4-[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-yl]-4-oxobutanoic acid?
The InChIKey is OUYUWXZOHDKSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5/c1-23-16(22)12-4-8-17(9-5-12)13-6-10-18(11-7-13)14(19)2-3-15(20)21/h12-13H,2-11H2,1H3,(H,20,21).
What are the key properties of 4-[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-yl]-4-oxobutanoic acid?
4-[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-yl]-4-oxobutanoic acid has a molecular weight of 326.39 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-yl]-4-oxobutanoic acid is sourced from PubChem (CID 3471109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).