4-cyano-4-(morpholine-4-carbonyl)piperidine-1-carboxylic acid

C12H17N3O4 — CID 68814584

IUPAC4-cyano-4-(morpholine-4-carbonyl)piperidine-1-carboxylic acid
SMILESN#CC1(C(=O)N2CCOCC2)CCN(C(=O)O)CC1
InChIInChI=1S/C12H17N3O4/c13-9-12(1-3-15(4-2-12)11(17)18)10(16)14-5-7-19-8-6-14/h1-8H2,(H,17,18)
InChIKeyQLGMLNXSBVFNCB-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.13
Rot. Bonds1

About 4-cyano-4-(morpholine-4-carbonyl)piperidine-1-carboxylic acid

4-cyano-4-(morpholine-4-carbonyl)piperidine-1-carboxylic acid (PubChem CID 68814584) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-cyano-4-(morpholine-4-carbonyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-cyano-4-(morpholine-4-carbonyl)piperidine-1-carboxylic acid
PubChem CID68814584
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name4-cyano-4-(morpholine-4-carbonyl)piperidine-1-carboxylic acid
SMILESN#CC1(C(=O)N2CCOCC2)CCN(C(=O)O)CC1
InChIInChI=1S/C12H17N3O4/c13-9-12(1-3-15(4-2-12)11(17)18)10(16)14-5-7-19-8-6-14/h1-8H2,(H,17,18)
InChIKeyQLGMLNXSBVFNCB-UHFFFAOYSA-N
XLogP0.13
TPSA93.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-4-(morpholine-4-carbonyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-cyano-4-(morpholine-4-carbonyl)piperidine-1-carboxylic acid (CID 68814584) is 4-cyano-4-(morpholine-4-carbonyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-cyano-4-(morpholine-4-carbonyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-cyano-4-(morpholine-4-carbonyl)piperidine-1-carboxylic acid is N#CC1(C(=O)N2CCOCC2)CCN(C(=O)O)CC1.
What is the InChIKey of 4-cyano-4-(morpholine-4-carbonyl)piperidine-1-carboxylic acid?
The InChIKey is QLGMLNXSBVFNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c13-9-12(1-3-15(4-2-12)11(17)18)10(16)14-5-7-19-8-6-14/h1-8H2,(H,17,18).
What are the key properties of 4-cyano-4-(morpholine-4-carbonyl)piperidine-1-carboxylic acid?
4-cyano-4-(morpholine-4-carbonyl)piperidine-1-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-4-(morpholine-4-carbonyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 68814584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).