N-[1-[5,5-difluoro-1-(propan-2-ylcarbamoyl)piperidin-3-yl]propan-2-yl]morpholine-4-carboxamide

C17H30F2N4O3 — CID 129106701

IUPACN-[1-[5,5-difluoro-1-(propan-2-ylcarbamoyl)piperidin-3-yl]propan-2-yl]morpholine-4-carboxamide
SMILESCC(C)NC(=O)N1CC(CC(C)NC(=O)N2CCOCC2)CC(F)(F)C1
InChIInChI=1S/C17H30F2N4O3/c1-12(2)20-15(24)23-10-14(9-17(18,19)11-23)8-13(3)21-16(25)22-4-6-26-7-5-22/h12-14H,4-11H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyULHROYULIHNLMV-UHFFFAOYSA-N
MW376.45 g/mol
LogP1.88
Rot. Bonds4

About N-[1-[5,5-difluoro-1-(propan-2-ylcarbamoyl)piperidin-3-yl]propan-2-yl]morpholine-4-carboxamide

N-[1-[5,5-difluoro-1-(propan-2-ylcarbamoyl)piperidin-3-yl]propan-2-yl]morpholine-4-carboxamide (PubChem CID 129106701) has the molecular formula C17H30F2N4O3 and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[1-[5,5-difluoro-1-(propan-2-ylcarbamoyl)piperidin-3-yl]propan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[5,5-difluoro-1-(propan-2-ylcarbamoyl)piperidin-3-yl]propan-2-yl]morpholine-4-carboxamide
PubChem CID129106701
Molecular FormulaC17H30F2N4O3
Molecular Weight376.45 g/mol
Exact Mass376.23
IUPAC NameN-[1-[5,5-difluoro-1-(propan-2-ylcarbamoyl)piperidin-3-yl]propan-2-yl]morpholine-4-carboxamide
SMILESCC(C)NC(=O)N1CC(CC(C)NC(=O)N2CCOCC2)CC(F)(F)C1
InChIInChI=1S/C17H30F2N4O3/c1-12(2)20-15(24)23-10-14(9-17(18,19)11-23)8-13(3)21-16(25)22-4-6-26-7-5-22/h12-14H,4-11H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyULHROYULIHNLMV-UHFFFAOYSA-N
XLogP1.88
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5,5-difluoro-1-(propan-2-ylcarbamoyl)piperidin-3-yl]propan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[1-[5,5-difluoro-1-(propan-2-ylcarbamoyl)piperidin-3-yl]propan-2-yl]morpholine-4-carboxamide (CID 129106701) is N-[1-[5,5-difluoro-1-(propan-2-ylcarbamoyl)piperidin-3-yl]propan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-[5,5-difluoro-1-(propan-2-ylcarbamoyl)piperidin-3-yl]propan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-[5,5-difluoro-1-(propan-2-ylcarbamoyl)piperidin-3-yl]propan-2-yl]morpholine-4-carboxamide is CC(C)NC(=O)N1CC(CC(C)NC(=O)N2CCOCC2)CC(F)(F)C1.
What is the InChIKey of N-[1-[5,5-difluoro-1-(propan-2-ylcarbamoyl)piperidin-3-yl]propan-2-yl]morpholine-4-carboxamide?
The InChIKey is ULHROYULIHNLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F2N4O3/c1-12(2)20-15(24)23-10-14(9-17(18,19)11-23)8-13(3)21-16(25)22-4-6-26-7-5-22/h12-14H,4-11H2,1-3H3,(H,20,24)(H,21,25).
What are the key properties of N-[1-[5,5-difluoro-1-(propan-2-ylcarbamoyl)piperidin-3-yl]propan-2-yl]morpholine-4-carboxamide?
N-[1-[5,5-difluoro-1-(propan-2-ylcarbamoyl)piperidin-3-yl]propan-2-yl]morpholine-4-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5,5-difluoro-1-(propan-2-ylcarbamoyl)piperidin-3-yl]propan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 129106701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).