(2S)-N-(4-fluorophenyl)-2-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylacetamide

C24H28FN3O3 — CID 26047039

IUPAC(2S)-N-(4-fluorophenyl)-2-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylacetamide
SMILESO=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCC[C@@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C24H28FN3O3/c25-20-8-10-21(11-9-20)26-23(29)22(18-5-2-1-3-6-18)28-12-4-7-19(17-28)24(30)27-13-15-31-16-14-27/h1-3,5-6,8-11,19,22H,4,7,12-17H2,(H,26,29)/t19-,22+/m1/s1
InChIKeyKYEWLNMCNVWEKF-KNQAVFIVSA-N
MW425.50 g/mol
LogP3.08
Rot. Bonds5

About (2S)-N-(4-fluorophenyl)-2-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylacetamide

(2S)-N-(4-fluorophenyl)-2-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylacetamide (PubChem CID 26047039) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is (2S)-N-(4-fluorophenyl)-2-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(4-fluorophenyl)-2-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylacetamide
PubChem CID26047039
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name(2S)-N-(4-fluorophenyl)-2-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylacetamide
SMILESO=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCC[C@@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C24H28FN3O3/c25-20-8-10-21(11-9-20)26-23(29)22(18-5-2-1-3-6-18)28-12-4-7-19(17-28)24(30)27-13-15-31-16-14-27/h1-3,5-6,8-11,19,22H,4,7,12-17H2,(H,26,29)/t19-,22+/m1/s1
InChIKeyKYEWLNMCNVWEKF-KNQAVFIVSA-N
XLogP3.08
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]piperidin-3-yl]propanoic acid
CID 122100950
(3S)-1-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxamide
CID 9304552
ethyl (3S)-1-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxylate
CID 51724183
(2R)-2-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 25481810
(3S)-1-[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxamide
CID 9267870
(2R)-2-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 124777649
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 32701204
1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 43062016
[1-(2-hydroxy-2-phenylethyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 110883057
2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119277072
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918724
N-(4-fluorophenyl)-2-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)acetamide
CID 53384111

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluorophenyl)-2-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylacetamide?
The IUPAC name of (2S)-N-(4-fluorophenyl)-2-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylacetamide (CID 26047039) is (2S)-N-(4-fluorophenyl)-2-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(4-fluorophenyl)-2-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2S)-N-(4-fluorophenyl)-2-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylacetamide is O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCC[C@@H](C(=O)N2CCOCC2)C1.
What is the InChIKey of (2S)-N-(4-fluorophenyl)-2-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylacetamide?
The InChIKey is KYEWLNMCNVWEKF-KNQAVFIVSA-N. The full InChI is InChI=1S/C24H28FN3O3/c25-20-8-10-21(11-9-20)26-23(29)22(18-5-2-1-3-6-18)28-12-4-7-19(17-28)24(30)27-13-15-31-16-14-27/h1-3,5-6,8-11,19,22H,4,7,12-17H2,(H,26,29)/t19-,22+/m1/s1.
What are the key properties of (2S)-N-(4-fluorophenyl)-2-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylacetamide?
(2S)-N-(4-fluorophenyl)-2-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylacetamide has a molecular weight of 425.50 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-fluorophenyl)-2-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 26047039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).