4-(3-methoxy-3-oxopropoxy)piperidine-1-carboxylic acid

C10H17NO5 — CID 90790270

IUPAC4-(3-methoxy-3-oxopropoxy)piperidine-1-carboxylic acid
SMILESCOC(=O)CCOC1CCN(C(=O)O)CC1
InChIInChI=1S/C10H17NO5/c1-15-9(12)4-7-16-8-2-5-11(6-3-8)10(13)14/h8H,2-7H2,1H3,(H,13,14)
InChIKeyLNUNJRWMFUXZIS-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.71
Rot. Bonds4

About 4-(3-methoxy-3-oxopropoxy)piperidine-1-carboxylic acid

4-(3-methoxy-3-oxopropoxy)piperidine-1-carboxylic acid (PubChem CID 90790270) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-(3-methoxy-3-oxopropoxy)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-methoxy-3-oxopropoxy)piperidine-1-carboxylic acid
PubChem CID90790270
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name4-(3-methoxy-3-oxopropoxy)piperidine-1-carboxylic acid
SMILESCOC(=O)CCOC1CCN(C(=O)O)CC1
InChIInChI=1S/C10H17NO5/c1-15-9(12)4-7-16-8-2-5-11(6-3-8)10(13)14/h8H,2-7H2,1H3,(H,13,14)
InChIKeyLNUNJRWMFUXZIS-UHFFFAOYSA-N
XLogP0.71
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-({1-[(Tert-butoxy)carbonyl]piperidin-4-yl}oxy)propanoic acid
CID 58022752
3-[(1-Methylpiperidin-4-yl)oxy]propanoic acid hydrochloride
CID 146083019
3-[(1-Methylpiperidin-4-yl)oxy]propanoic acid
CID 57097192
Methyl 4-(acetyloxy)-1-piperidinecarboxylate
CID 21580771
3-[1-(3,3,3-Trifluoropropanoyl)piperidin-4-yl]oxypropanoic acid
CID 63871388
3-{[1-(Trifluoroacetyl)piperidin-4-yl]oxy}propanoic acid
CID 63871567
3-[1-(2,2,2-Trifluoroethoxycarbonyl)piperidin-4-yl]oxypropanoic acid
CID 63876506
3-[1-(4,4,4-Trifluorobutanoyl)piperidin-4-yl]oxypropanoic acid
CID 65712701
3-[1-(2-Fluoroethyl)piperidin-4-yl]oxypropanoic acid
CID 80695259
3-[1-(3-Fluoropropyl)piperidin-4-yl]oxypropanoic acid
CID 81114365
3-[1-[3-(2,2-Difluoroethoxy)propanoyl]piperidin-4-yl]oxypropanoic acid
CID 103206021
3-[1-(2,2-Difluoroacetyl)piperidin-4-yl]oxypropanoic acid
CID 103513308

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-3-oxopropoxy)piperidine-1-carboxylic acid?
The IUPAC name of 4-(3-methoxy-3-oxopropoxy)piperidine-1-carboxylic acid (CID 90790270) is 4-(3-methoxy-3-oxopropoxy)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(3-methoxy-3-oxopropoxy)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(3-methoxy-3-oxopropoxy)piperidine-1-carboxylic acid is COC(=O)CCOC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(3-methoxy-3-oxopropoxy)piperidine-1-carboxylic acid?
The InChIKey is LNUNJRWMFUXZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-15-9(12)4-7-16-8-2-5-11(6-3-8)10(13)14/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of 4-(3-methoxy-3-oxopropoxy)piperidine-1-carboxylic acid?
4-(3-methoxy-3-oxopropoxy)piperidine-1-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-3-oxopropoxy)piperidine-1-carboxylic acid is sourced from PubChem (CID 90790270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).