1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid

C14H22N2O5 — CID 91547424

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)N2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C14H22N2O5/c17-12(18)11-2-1-5-16(10-11)13(19)15-6-3-14(4-7-15)20-8-9-21-14/h11H,1-10H2,(H,17,18)
InChIKeyLFFYHCKBEUMBQD-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.74
Rot. Bonds1

About 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid

1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid (PubChem CID 91547424) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid
PubChem CID91547424
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)N2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C14H22N2O5/c17-12(18)11-2-1-5-16(10-11)13(19)15-6-3-14(4-7-15)20-8-9-21-14/h11H,1-10H2,(H,17,18)
InChIKeyLFFYHCKBEUMBQD-UHFFFAOYSA-N
XLogP0.74
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid (CID 91547424) is 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)N2CCC3(CC2)OCCO3)C1.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is LFFYHCKBEUMBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c17-12(18)11-2-1-5-16(10-11)13(19)15-6-3-14(4-7-15)20-8-9-21-14/h11H,1-10H2,(H,17,18).
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid?
1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 91547424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).