(3-fluoro-4-morpholin-4-ylphenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone

C17H24FN3O2 — CID 124587947

IUPAC(3-fluoro-4-morpholin-4-ylphenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
SMILESCN[C@@H]1CCCN(C(=O)c2ccc(N3CCOCC3)c(F)c2)C1
InChIInChI=1S/C17H24FN3O2/c1-19-14-3-2-6-21(12-14)17(22)13-4-5-16(15(18)11-13)20-7-9-23-10-8-20/h4-5,11,14,19H,2-3,6-10,12H2,1H3/t14-/m1/s1
InChIKeyMHRJUTRCIOFRFU-CQSZACIVSA-N
MW321.40 g/mol
LogP1.49
Rot. Bonds3

About (3-fluoro-4-morpholin-4-ylphenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone

(3-fluoro-4-morpholin-4-ylphenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone (PubChem CID 124587947) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is (3-fluoro-4-morpholin-4-ylphenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-morpholin-4-ylphenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
PubChem CID124587947
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name(3-fluoro-4-morpholin-4-ylphenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
SMILESCN[C@@H]1CCCN(C(=O)c2ccc(N3CCOCC3)c(F)c2)C1
InChIInChI=1S/C17H24FN3O2/c1-19-14-3-2-6-21(12-14)17(22)13-4-5-16(15(18)11-13)20-7-9-23-10-8-20/h4-5,11,14,19H,2-3,6-10,12H2,1H3/t14-/m1/s1
InChIKeyMHRJUTRCIOFRFU-CQSZACIVSA-N
XLogP1.49
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-fluoro-4-morpholin-4-ylphenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanone
CID 124592263
1-(3-fluoro-4-morpholin-4-ylbenzoyl)pyrrolidine-2-carboxylic acid
CID 119356021
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
2-fluoro-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 154750779
[4-fluoro-3-(trifluoromethyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492576
2,3-dihydro-1,4-benzodioxin-6-yl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 71642618
N-[2-fluoro-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-3-methylbutanamide
CID 119488057
N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide
CID 47250997
[4-(4-chlorophenoxy)-3-fluorophenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492276
[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone
CID 94475796
(4-bromo-2,6-difluorophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124517167

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-morpholin-4-ylphenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-morpholin-4-ylphenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone (CID 124587947) is (3-fluoro-4-morpholin-4-ylphenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-morpholin-4-ylphenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-morpholin-4-ylphenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone is CN[C@@H]1CCCN(C(=O)c2ccc(N3CCOCC3)c(F)c2)C1.
What is the InChIKey of (3-fluoro-4-morpholin-4-ylphenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is MHRJUTRCIOFRFU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-19-14-3-2-6-21(12-14)17(22)13-4-5-16(15(18)11-13)20-7-9-23-10-8-20/h4-5,11,14,19H,2-3,6-10,12H2,1H3/t14-/m1/s1.
What are the key properties of (3-fluoro-4-morpholin-4-ylphenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone?
(3-fluoro-4-morpholin-4-ylphenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 321.40 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-morpholin-4-ylphenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 124587947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).