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

C26H32FN3O3 — CID 97496241

IUPACN-[(1R)-2-(diethylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide
SMILESCCN(CC)C(=O)[C@H](NC(=O)c1ccc(F)cc1)C1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C26H32FN3O3/c1-3-29(4-2)26(33)24(28-25(32)21-10-12-22(27)13-11-21)20-14-16-30(17-15-20)23(31)18-19-8-6-5-7-9-19/h5-13,20,24H,3-4,14-18H2,1-2H3,(H,28,32)/t24-/m1/s1
InChIKeyVUIFMNKJZOIYJT-XMMPIXPASA-N
MW453.56 g/mol
LogP3.27
Rot. Bonds8

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

N-[(1R)-2-(diethylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide (PubChem CID 97496241) has the molecular formula C26H32FN3O3 and a molecular weight of 453.56 g/mol. Its IUPAC name is N-[(1R)-2-(diethylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(1R)-2-(diethylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide
PubChem CID97496241
Molecular FormulaC26H32FN3O3
Molecular Weight453.56 g/mol
Exact Mass453.24
IUPAC NameN-[(1R)-2-(diethylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide
SMILESCCN(CC)C(=O)[C@H](NC(=O)c1ccc(F)cc1)C1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C26H32FN3O3/c1-3-29(4-2)26(33)24(28-25(32)21-10-12-22(27)13-11-21)20-14-16-30(17-15-20)23(31)18-19-8-6-5-7-9-19/h5-13,20,24H,3-4,14-18H2,1-2H3,(H,28,32)/t24-/m1/s1
InChIKeyVUIFMNKJZOIYJT-XMMPIXPASA-N
XLogP3.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 93178764
N-[(1S)-2-(diethylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93178757
4-fluoro-N-[(1R)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-(propylamino)ethyl]benzamide
CID 93178750
N-[(1R)-2-anilino-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide
CID 93178690
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)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93178801
4-fluoro-N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]benzamide
CID 46016071
N-[(1S)-2-(diethylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 93199629
N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 46014668
N-[(1S)-2-(diethylamino)-1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93178875
N-[2-(butan-2-ylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-methylbenzamide
CID 42840475
N-[(1R)-2-(diethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-4-methoxybenzamide
CID 93197391

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(diethylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide?
The IUPAC name of N-[(1R)-2-(diethylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide (CID 97496241) is N-[(1R)-2-(diethylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(1R)-2-(diethylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[(1R)-2-(diethylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide is CCN(CC)C(=O)[C@H](NC(=O)c1ccc(F)cc1)C1CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of N-[(1R)-2-(diethylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide?
The InChIKey is VUIFMNKJZOIYJT-XMMPIXPASA-N. The full InChI is InChI=1S/C26H32FN3O3/c1-3-29(4-2)26(33)24(28-25(32)21-10-12-22(27)13-11-21)20-14-16-30(17-15-20)23(31)18-19-8-6-5-7-9-19/h5-13,20,24H,3-4,14-18H2,1-2H3,(H,28,32)/t24-/m1/s1.
What are the key properties of N-[(1R)-2-(diethylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide?
N-[(1R)-2-(diethylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide has a molecular weight of 453.56 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(diethylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide is sourced from PubChem (CID 97496241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).