N-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]morpholine-4-carboxamide

C15H25F2N3O4 — CID 125417214

IUPACN-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]morpholine-4-carboxamide
SMILESO=C(N[C@H]1CO[C@@H](CN2CCC(F)(F)CC2)[C@@H]1O)N1CCOCC1
InChIInChI=1S/C15H25F2N3O4/c16-15(17)1-3-19(4-2-15)9-12-13(21)11(10-24-12)18-14(22)20-5-7-23-8-6-20/h11-13,21H,1-10H2,(H,18,22)/t11-,12-,13+/m0/s1
InChIKeyISNDIUJPFDYRAV-RWMBFGLXSA-N
MW349.38 g/mol
LogP-0.11
Rot. Bonds3

About N-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]morpholine-4-carboxamide

N-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]morpholine-4-carboxamide (PubChem CID 125417214) has the molecular formula C15H25F2N3O4 and a molecular weight of 349.38 g/mol. Its IUPAC name is N-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]morpholine-4-carboxamide
PubChem CID125417214
Molecular FormulaC15H25F2N3O4
Molecular Weight349.38 g/mol
Exact Mass349.18
IUPAC NameN-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]morpholine-4-carboxamide
SMILESO=C(N[C@H]1CO[C@@H](CN2CCC(F)(F)CC2)[C@@H]1O)N1CCOCC1
InChIInChI=1S/C15H25F2N3O4/c16-15(17)1-3-19(4-2-15)9-12-13(21)11(10-24-12)18-14(22)20-5-7-23-8-6-20/h11-13,21H,1-10H2,(H,18,22)/t11-,12-,13+/m0/s1
InChIKeyISNDIUJPFDYRAV-RWMBFGLXSA-N
XLogP-0.11
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]acetamide
CID 125417158
N-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-phenylacetamide
CID 162844857
4-amino-2-[(4,4-difluoropiperidin-1-yl)methyl]oxolan-3-ol
CID 162799271
N-[[3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]morpholine-4-carboxamide
CID 162967431
N-[(3S,4R,5S)-5-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-methoxyacetamide
CID 125417765
1-[4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]-3-(3-methoxyphenyl)urea
CID 162847650
N-[4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
CID 162800033
N-cyclopent-3-en-1-ylmorpholine-4-carboxamide
CID 115695442
N-[5-[(4-acetyl-1,4-diazepan-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-ethylbutanamide
CID 162800007
(2S,3R,4S)-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methylamino]oxolan-3-ol
CID 125417535
N-[3-(morpholine-4-carbonylamino)cyclohexyl]morpholine-4-carboxamide
CID 171722453
N-cyclopropyl-1,4-oxazepane-4-carboxamide
CID 115597922

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]morpholine-4-carboxamide (CID 125417214) is N-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]morpholine-4-carboxamide is O=C(N[C@H]1CO[C@@H](CN2CCC(F)(F)CC2)[C@@H]1O)N1CCOCC1.
What is the InChIKey of N-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]morpholine-4-carboxamide?
The InChIKey is ISNDIUJPFDYRAV-RWMBFGLXSA-N. The full InChI is InChI=1S/C15H25F2N3O4/c16-15(17)1-3-19(4-2-15)9-12-13(21)11(10-24-12)18-14(22)20-5-7-23-8-6-20/h11-13,21H,1-10H2,(H,18,22)/t11-,12-,13+/m0/s1.
What are the key properties of N-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]morpholine-4-carboxamide?
N-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]morpholine-4-carboxamide has a molecular weight of 349.38 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]morpholine-4-carboxamide is sourced from PubChem (CID 125417214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).