4-butyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]morpholine-3-carboxamide

C16H29F2N3O2 — CID 154757906

IUPAC4-butyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]morpholine-3-carboxamide
SMILESCCCCN1CCOCC1C(=O)NC1CCN(CC(F)F)CC1
InChIInChI=1S/C16H29F2N3O2/c1-2-3-6-21-9-10-23-12-14(21)16(22)19-13-4-7-20(8-5-13)11-15(17)18/h13-15H,2-12H2,1H3,(H,19,22)
InChIKeyQZKHBLCZJFBGOS-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.33
Rot. Bonds7

About 4-butyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]morpholine-3-carboxamide

4-butyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]morpholine-3-carboxamide (PubChem CID 154757906) has the molecular formula C16H29F2N3O2 and a molecular weight of 333.42 g/mol. Its IUPAC name is 4-butyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]morpholine-3-carboxamide
PubChem CID154757906
Molecular FormulaC16H29F2N3O2
Molecular Weight333.42 g/mol
Exact Mass333.22
IUPAC Name4-butyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]morpholine-3-carboxamide
SMILESCCCCN1CCOCC1C(=O)NC1CCN(CC(F)F)CC1
InChIInChI=1S/C16H29F2N3O2/c1-2-3-6-21-9-10-23-12-14(21)16(22)19-13-4-7-20(8-5-13)11-15(17)18/h13-15H,2-12H2,1H3,(H,19,22)
InChIKeyQZKHBLCZJFBGOS-UHFFFAOYSA-N
XLogP1.33
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]morpholine-3-carboxamide?
The IUPAC name of 4-butyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]morpholine-3-carboxamide (CID 154757906) is 4-butyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]morpholine-3-carboxamide.
What is the SMILES notation for 4-butyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]morpholine-3-carboxamide?
The canonical SMILES for 4-butyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]morpholine-3-carboxamide is CCCCN1CCOCC1C(=O)NC1CCN(CC(F)F)CC1.
What is the InChIKey of 4-butyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]morpholine-3-carboxamide?
The InChIKey is QZKHBLCZJFBGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F2N3O2/c1-2-3-6-21-9-10-23-12-14(21)16(22)19-13-4-7-20(8-5-13)11-15(17)18/h13-15H,2-12H2,1H3,(H,19,22).
What are the key properties of 4-butyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]morpholine-3-carboxamide?
4-butyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]morpholine-3-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]morpholine-3-carboxamide is sourced from PubChem (CID 154757906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).