2-(4,4-difluoropiperidin-1-yl)-3-morpholin-4-ylbutanediamide

C13H22F2N4O3 — CID 90842158

IUPAC2-(4,4-difluoropiperidin-1-yl)-3-morpholin-4-ylbutanediamide
SMILESNC(=O)C(C(C(N)=O)N1CCC(F)(F)CC1)N1CCOCC1
InChIInChI=1S/C13H22F2N4O3/c14-13(15)1-3-18(4-2-13)9(11(16)20)10(12(17)21)19-5-7-22-8-6-19/h9-10H,1-8H2,(H2,16,20)(H2,17,21)
InChIKeyRWDMUYRQVHSORM-UHFFFAOYSA-N
MW320.34 g/mol
LogP-1.24
Rot. Bonds5

About 2-(4,4-difluoropiperidin-1-yl)-3-morpholin-4-ylbutanediamide

2-(4,4-difluoropiperidin-1-yl)-3-morpholin-4-ylbutanediamide (PubChem CID 90842158) has the molecular formula C13H22F2N4O3 and a molecular weight of 320.34 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-3-morpholin-4-ylbutanediamide.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-3-morpholin-4-ylbutanediamide
PubChem CID90842158
Molecular FormulaC13H22F2N4O3
Molecular Weight320.34 g/mol
Exact Mass320.17
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-3-morpholin-4-ylbutanediamide
SMILESNC(=O)C(C(C(N)=O)N1CCC(F)(F)CC1)N1CCOCC1
InChIInChI=1S/C13H22F2N4O3/c14-13(15)1-3-18(4-2-13)9(11(16)20)10(12(17)21)19-5-7-22-8-6-19/h9-10H,1-8H2,(H2,16,20)(H2,17,21)
InChIKeyRWDMUYRQVHSORM-UHFFFAOYSA-N
XLogP-1.24
TPSA101.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-3-morpholin-4-ylbutanediamide?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-3-morpholin-4-ylbutanediamide (CID 90842158) is 2-(4,4-difluoropiperidin-1-yl)-3-morpholin-4-ylbutanediamide.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-3-morpholin-4-ylbutanediamide?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-3-morpholin-4-ylbutanediamide is NC(=O)C(C(C(N)=O)N1CCC(F)(F)CC1)N1CCOCC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-3-morpholin-4-ylbutanediamide?
The InChIKey is RWDMUYRQVHSORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N4O3/c14-13(15)1-3-18(4-2-13)9(11(16)20)10(12(17)21)19-5-7-22-8-6-19/h9-10H,1-8H2,(H2,16,20)(H2,17,21).
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-3-morpholin-4-ylbutanediamide?
2-(4,4-difluoropiperidin-1-yl)-3-morpholin-4-ylbutanediamide has a molecular weight of 320.34 g/mol, XLogP of -1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-3-morpholin-4-ylbutanediamide is sourced from PubChem (CID 90842158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).