4-fluoro-N-[(1S)-2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide

C21H28FN3O3 — CID 93196747

IUPAC4-fluoro-N-[(1S)-2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCCC(=O)N1CCC([C@H](NC(=O)c2ccc(F)cc2)C(=O)N2CCCC2)CC1
InChIInChI=1S/C21H28FN3O3/c1-2-18(26)24-13-9-15(10-14-24)19(21(28)25-11-3-4-12-25)23-20(27)16-5-7-17(22)8-6-16/h5-8,15,19H,2-4,9-14H2,1H3,(H,23,27)/t19-/m0/s1
InChIKeyCEOSXNARAHMCGJ-IBGZPJMESA-N
MW389.47 g/mol
LogP2.20
Rot. Bonds5

About 4-fluoro-N-[(1S)-2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide

4-fluoro-N-[(1S)-2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 93196747) has the molecular formula C21H28FN3O3 and a molecular weight of 389.47 g/mol. Its IUPAC name is 4-fluoro-N-[(1S)-2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1S)-2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID93196747
Molecular FormulaC21H28FN3O3
Molecular Weight389.47 g/mol
Exact Mass389.21
IUPAC Name4-fluoro-N-[(1S)-2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCCC(=O)N1CCC([C@H](NC(=O)c2ccc(F)cc2)C(=O)N2CCCC2)CC1
InChIInChI=1S/C21H28FN3O3/c1-2-18(26)24-13-9-15(10-14-24)19(21(28)25-11-3-4-12-25)23-20(27)16-5-7-17(22)8-6-16/h5-8,15,19H,2-4,9-14H2,1H3,(H,23,27)/t19-/m0/s1
InChIKeyCEOSXNARAHMCGJ-IBGZPJMESA-N
XLogP2.20
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[(1S)-2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide 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

3-methyl-N-[2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 46020159
3-methyl-N-[2-oxo-2-piperidin-1-yl-1-(1-propanoylpiperidin-4-yl)ethyl]benzamide
CID 46020042
4-fluoro-N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]benzamide
CID 93182730
N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide
CID 93178716
4-methoxy-N-[(1R)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93197361
N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 93178764
N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 93199975
N-[(1S)-2-(diethylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93178757
N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46020232
N-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93199235
N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46020237
N-[1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 46020400

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1S)-2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 4-fluoro-N-[(1S)-2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide (CID 93196747) is 4-fluoro-N-[(1S)-2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1S)-2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(1S)-2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide is CCC(=O)N1CCC([C@H](NC(=O)c2ccc(F)cc2)C(=O)N2CCCC2)CC1.
What is the InChIKey of 4-fluoro-N-[(1S)-2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is CEOSXNARAHMCGJ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H28FN3O3/c1-2-18(26)24-13-9-15(10-14-24)19(21(28)25-11-3-4-12-25)23-20(27)16-5-7-17(22)8-6-16/h5-8,15,19H,2-4,9-14H2,1H3,(H,23,27)/t19-/m0/s1.
What are the key properties of 4-fluoro-N-[(1S)-2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide?
4-fluoro-N-[(1S)-2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 389.47 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1S)-2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 93196747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).