1-(2-cyclopropylmorpholine-4-carbonyl)-4-(2,2-difluoroethyl)piperidine-4-carboxylic acid

C16H24F2N2O4 — CID 166279288

IUPAC1-(2-cyclopropylmorpholine-4-carbonyl)-4-(2,2-difluoroethyl)piperidine-4-carboxylic acid
SMILESO=C(N1CCC(CC(F)F)(C(=O)O)CC1)N1CCOC(C2CC2)C1
InChIInChI=1S/C16H24F2N2O4/c17-13(18)9-16(14(21)22)3-5-19(6-4-16)15(23)20-7-8-24-12(10-20)11-1-2-11/h11-13H,1-10H2,(H,21,22)
InChIKeyXYBNOOJUWVYTIP-UHFFFAOYSA-N
MW346.37 g/mol
LogP2.04
Rot. Bonds4

About 1-(2-cyclopropylmorpholine-4-carbonyl)-4-(2,2-difluoroethyl)piperidine-4-carboxylic acid

1-(2-cyclopropylmorpholine-4-carbonyl)-4-(2,2-difluoroethyl)piperidine-4-carboxylic acid (PubChem CID 166279288) has the molecular formula C16H24F2N2O4 and a molecular weight of 346.37 g/mol. Its IUPAC name is 1-(2-cyclopropylmorpholine-4-carbonyl)-4-(2,2-difluoroethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopropylmorpholine-4-carbonyl)-4-(2,2-difluoroethyl)piperidine-4-carboxylic acid
PubChem CID166279288
Molecular FormulaC16H24F2N2O4
Molecular Weight346.37 g/mol
Exact Mass346.17
IUPAC Name1-(2-cyclopropylmorpholine-4-carbonyl)-4-(2,2-difluoroethyl)piperidine-4-carboxylic acid
SMILESO=C(N1CCC(CC(F)F)(C(=O)O)CC1)N1CCOC(C2CC2)C1
InChIInChI=1S/C16H24F2N2O4/c17-13(18)9-16(14(21)22)3-5-19(6-4-16)15(23)20-7-8-24-12(10-20)11-1-2-11/h11-13H,1-10H2,(H,21,22)
InChIKeyXYBNOOJUWVYTIP-UHFFFAOYSA-N
XLogP2.04
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-cyclopropylmorpholine-4-carbonyl)-4-(2,2-difluoroethyl)piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Morpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 22322656
1-(2-Methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 43135712
1-(2,6-Dimethylmorpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 43318345
1-(2,5-Dimethylmorpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 43544965
1-(2-Ethylmorpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 43563043
4-Methyl-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 55177180
4-Methyl-1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 55177373
1-(5-Ethyl-2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 61425062
1-(3-Ethoxypiperidine-1-carbonyl)piperidine-4-carboxylic acid
CID 61572160
1-(3-Propoxypiperidine-1-carbonyl)piperidine-4-carboxylic acid
CID 61572637
1-(2,2,6-Trimethylmorpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 61958238
1-(2,6-Dimethylmorpholine-4-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123498

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylmorpholine-4-carbonyl)-4-(2,2-difluoroethyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-cyclopropylmorpholine-4-carbonyl)-4-(2,2-difluoroethyl)piperidine-4-carboxylic acid (CID 166279288) is 1-(2-cyclopropylmorpholine-4-carbonyl)-4-(2,2-difluoroethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopropylmorpholine-4-carbonyl)-4-(2,2-difluoroethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-cyclopropylmorpholine-4-carbonyl)-4-(2,2-difluoroethyl)piperidine-4-carboxylic acid is O=C(N1CCC(CC(F)F)(C(=O)O)CC1)N1CCOC(C2CC2)C1.
What is the InChIKey of 1-(2-cyclopropylmorpholine-4-carbonyl)-4-(2,2-difluoroethyl)piperidine-4-carboxylic acid?
The InChIKey is XYBNOOJUWVYTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O4/c17-13(18)9-16(14(21)22)3-5-19(6-4-16)15(23)20-7-8-24-12(10-20)11-1-2-11/h11-13H,1-10H2,(H,21,22).
What are the key properties of 1-(2-cyclopropylmorpholine-4-carbonyl)-4-(2,2-difluoroethyl)piperidine-4-carboxylic acid?
1-(2-cyclopropylmorpholine-4-carbonyl)-4-(2,2-difluoroethyl)piperidine-4-carboxylic acid has a molecular weight of 346.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylmorpholine-4-carbonyl)-4-(2,2-difluoroethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 166279288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).