N-[2-anilino-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide

C26H30FN3O3 — CID 46014640

IUPACN-[2-anilino-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
SMILESO=C(NC(C(=O)Nc1ccccc1)C1CCN(C(=O)C2CCCC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C26H30FN3O3/c27-21-12-10-19(11-13-21)24(31)29-23(25(32)28-22-8-2-1-3-9-22)18-14-16-30(17-15-18)26(33)20-6-4-5-7-20/h1-3,8-13,18,20,23H,4-7,14-17H2,(H,28,32)(H,29,31)
InChIKeyUDFMSJLBKOUWMR-UHFFFAOYSA-N
MW451.54 g/mol
LogP3.99
Rot. Bonds6

About N-[2-anilino-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide

N-[2-anilino-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide (PubChem CID 46014640) has the molecular formula C26H30FN3O3 and a molecular weight of 451.54 g/mol. Its IUPAC name is N-[2-anilino-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-anilino-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
PubChem CID46014640
Molecular FormulaC26H30FN3O3
Molecular Weight451.54 g/mol
Exact Mass451.23
IUPAC NameN-[2-anilino-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
SMILESO=C(NC(C(=O)Nc1ccccc1)C1CCN(C(=O)C2CCCC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C26H30FN3O3/c27-21-12-10-19(11-13-21)24(31)29-23(25(32)28-22-8-2-1-3-9-22)18-14-16-30(17-15-18)26(33)20-6-4-5-7-20/h1-3,8-13,18,20,23H,4-7,14-17H2,(H,28,32)(H,29,31)
InChIKeyUDFMSJLBKOUWMR-UHFFFAOYSA-N
XLogP3.99
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-anilino-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 46014635
N-[(1R)-2-anilino-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide
CID 93178690
N-[(1S)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 93199492
N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 46020353
N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 46020351
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-[(1R)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 93199318
N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide
CID 46016045
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-(cyclopropylamino)-2-oxoethyl]-4-fluorobenzamide
CID 93196691
N-[2-(butan-2-ylamino)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 46020492
N-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 93199501

Frequently Asked Questions

What is the IUPAC name of N-[2-anilino-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-anilino-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide (CID 46014640) is N-[2-anilino-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-anilino-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-anilino-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide is O=C(NC(C(=O)Nc1ccccc1)C1CCN(C(=O)C2CCCC2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[2-anilino-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is UDFMSJLBKOUWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O3/c27-21-12-10-19(11-13-21)24(31)29-23(25(32)28-22-8-2-1-3-9-22)18-14-16-30(17-15-18)26(33)20-6-4-5-7-20/h1-3,8-13,18,20,23H,4-7,14-17H2,(H,28,32)(H,29,31).
What are the key properties of N-[2-anilino-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide?
N-[2-anilino-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 451.54 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-anilino-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 46014640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).