(2R)-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]morpholine-4-carboxamide

C17H22FN3O3 — CID 94030560

IUPAC(2R)-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]morpholine-4-carboxamide
SMILESO=C1NCCCC[C@@H]1NC(=O)N1CCO[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C17H22FN3O3/c18-13-6-4-12(5-7-13)15-11-21(9-10-24-15)17(23)20-14-3-1-2-8-19-16(14)22/h4-7,14-15H,1-3,8-11H2,(H,19,22)(H,20,23)/t14-,15-/m0/s1
InChIKeyGLLPLFBQMFEZHM-GJZGRUSLSA-N
MW335.38 g/mol
LogP1.58
Rot. Bonds2

About (2R)-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]morpholine-4-carboxamide

(2R)-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]morpholine-4-carboxamide (PubChem CID 94030560) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]morpholine-4-carboxamide
PubChem CID94030560
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC Name(2R)-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]morpholine-4-carboxamide
SMILESO=C1NCCCC[C@@H]1NC(=O)N1CCO[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C17H22FN3O3/c18-13-6-4-12(5-7-13)15-11-21(9-10-24-15)17(23)20-14-3-1-2-8-19-16(14)22/h4-7,14-15H,1-3,8-11H2,(H,19,22)(H,20,23)/t14-,15-/m0/s1
InChIKeyGLLPLFBQMFEZHM-GJZGRUSLSA-N
XLogP1.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-benzyl-N-[(3R)-2-oxoazepan-3-yl]morpholine-4-carboxamide
CID 124616348
2-cyclopentyl-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 94823425
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide
CID 71892979
(2R)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide
CID 97079092
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
N-cyclopentyl-2-(4-methylphenyl)morpholine-4-carboxamide
CID 121134941
[2-(4-fluorophenyl)morpholin-4-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 119112320
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
2-(4-chlorophenyl)-N-cyclohexylmorpholine-4-carboxamide
CID 110327090
[2-(4-fluorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
CID 60963365
cyclopropyl-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]methanone
CID 134044230
2-(4-fluorophenyl)-N-(4-iodophenyl)morpholine-4-carboxamide
CID 55696920

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]morpholine-4-carboxamide?
The IUPAC name of (2R)-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]morpholine-4-carboxamide (CID 94030560) is (2R)-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]morpholine-4-carboxamide is O=C1NCCCC[C@@H]1NC(=O)N1CCO[C@H](c2ccc(F)cc2)C1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]morpholine-4-carboxamide?
The InChIKey is GLLPLFBQMFEZHM-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H22FN3O3/c18-13-6-4-12(5-7-13)15-11-21(9-10-24-15)17(23)20-14-3-1-2-8-19-16(14)22/h4-7,14-15H,1-3,8-11H2,(H,19,22)(H,20,23)/t14-,15-/m0/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]morpholine-4-carboxamide?
(2R)-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]morpholine-4-carboxamide has a molecular weight of 335.38 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]morpholine-4-carboxamide is sourced from PubChem (CID 94030560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).