N-[(1R)-2-anilino-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide

C28H28FN3O3 — CID 93178690

IUPACN-[(1R)-2-anilino-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide
SMILESO=C(N[C@@H](C(=O)Nc1ccccc1)C1CCN(C(=O)Cc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C28H28FN3O3/c29-23-13-11-22(12-14-23)27(34)31-26(28(35)30-24-9-5-2-6-10-24)21-15-17-32(18-16-21)25(33)19-20-7-3-1-4-8-20/h1-14,21,26H,15-19H2,(H,30,35)(H,31,34)/t26-/m1/s1
InChIKeyWLBCAHJSZHZLAJ-AREMUKBSSA-N
MW473.55 g/mol
LogP4.04
Rot. Bonds7

About N-[(1R)-2-anilino-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide

N-[(1R)-2-anilino-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide (PubChem CID 93178690) has the molecular formula C28H28FN3O3 and a molecular weight of 473.55 g/mol. Its IUPAC name is N-[(1R)-2-anilino-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(1R)-2-anilino-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide
PubChem CID93178690
Molecular FormulaC28H28FN3O3
Molecular Weight473.55 g/mol
Exact Mass473.21
IUPAC NameN-[(1R)-2-anilino-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide
SMILESO=C(N[C@@H](C(=O)Nc1ccccc1)C1CCN(C(=O)Cc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C28H28FN3O3/c29-23-13-11-22(12-14-23)27(34)31-26(28(35)30-24-9-5-2-6-10-24)21-15-17-32(18-16-21)25(33)19-20-7-3-1-4-8-20/h1-14,21,26H,15-19H2,(H,30,35)(H,31,34)/t26-/m1/s1
InChIKeyWLBCAHJSZHZLAJ-AREMUKBSSA-N
XLogP4.04
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(1R)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-(propylamino)ethyl]benzamide
CID 93178750
N-[2-anilino-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 46014635
4-fluoro-N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]benzamide
CID 46016071
4-fluoro-N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]benzamide
CID 93182730
N-[(1R)-2-(diethylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide
CID 97496241
N-[2-anilino-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 46014640
N-[2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-(prop-2-enylamino)ethyl]benzamide
CID 42840460
N-[2-(butan-2-ylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-methylbenzamide
CID 42840475
N-[(1S)-2-(benzylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93199377
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-(cyclopropylamino)-2-oxoethyl]-4-fluorobenzamide
CID 93196691
N-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 93199501
4-fluoro-N-[(1S)-2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 93196747

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-anilino-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide?
The IUPAC name of N-[(1R)-2-anilino-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide (CID 93178690) is N-[(1R)-2-anilino-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(1R)-2-anilino-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[(1R)-2-anilino-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide is O=C(N[C@@H](C(=O)Nc1ccccc1)C1CCN(C(=O)Cc2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-2-anilino-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide?
The InChIKey is WLBCAHJSZHZLAJ-AREMUKBSSA-N. The full InChI is InChI=1S/C28H28FN3O3/c29-23-13-11-22(12-14-23)27(34)31-26(28(35)30-24-9-5-2-6-10-24)21-15-17-32(18-16-21)25(33)19-20-7-3-1-4-8-20/h1-14,21,26H,15-19H2,(H,30,35)(H,31,34)/t26-/m1/s1.
What are the key properties of N-[(1R)-2-anilino-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide?
N-[(1R)-2-anilino-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide has a molecular weight of 473.55 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-anilino-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide is sourced from PubChem (CID 93178690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).