4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylpiperidine-1-carboxylic acid

C14H24N2O4 — CID 69088167

IUPAC4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylpiperidine-1-carboxylic acid
SMILESCC1(N2CCC3(CC2)OCCO3)CCN(C(=O)O)CC1
InChIInChI=1S/C14H24N2O4/c1-13(2-6-15(7-3-13)12(17)18)16-8-4-14(5-9-16)19-10-11-20-14/h2-11H2,1H3,(H,17,18)
InChIKeyUXGQMAUZLDHJBH-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.36
Rot. Bonds1

About 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylpiperidine-1-carboxylic acid

4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylpiperidine-1-carboxylic acid (PubChem CID 69088167) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylpiperidine-1-carboxylic acid
PubChem CID69088167
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylpiperidine-1-carboxylic acid
SMILESCC1(N2CCC3(CC2)OCCO3)CCN(C(=O)O)CC1
InChIInChI=1S/C14H24N2O4/c1-13(2-6-15(7-3-13)12(17)18)16-8-4-14(5-9-16)19-10-11-20-14/h2-11H2,1H3,(H,17,18)
InChIKeyUXGQMAUZLDHJBH-UHFFFAOYSA-N
XLogP1.36
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylpiperidine-1-carboxylic acid?
The IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylpiperidine-1-carboxylic acid (CID 69088167) is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylpiperidine-1-carboxylic acid is CC1(N2CCC3(CC2)OCCO3)CCN(C(=O)O)CC1.
What is the InChIKey of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylpiperidine-1-carboxylic acid?
The InChIKey is UXGQMAUZLDHJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-13(2-6-15(7-3-13)12(17)18)16-8-4-14(5-9-16)19-10-11-20-14/h2-11H2,1H3,(H,17,18).
What are the key properties of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylpiperidine-1-carboxylic acid?
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylpiperidine-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylpiperidine-1-carboxylic acid is sourced from PubChem (CID 69088167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).