4-fluoro-N-[(1R)-2-oxo-2-(propylamino)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide

C22H26FN3O3S — CID 93178723

IUPAC4-fluoro-N-[(1R)-2-oxo-2-(propylamino)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide
SMILESCCCNC(=O)[C@H](NC(=O)c1ccc(F)cc1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C22H26FN3O3S/c1-2-11-24-21(28)19(25-20(27)16-5-7-17(23)8-6-16)15-9-12-26(13-10-15)22(29)18-4-3-14-30-18/h3-8,14-15,19H,2,9-13H2,1H3,(H,24,28)(H,25,27)/t19-/m1/s1
InChIKeySKXVCVZHMNRWJC-LJQANCHMSA-N
MW431.53 g/mol
LogP3.06
Rot. Bonds7

About 4-fluoro-N-[(1R)-2-oxo-2-(propylamino)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide

4-fluoro-N-[(1R)-2-oxo-2-(propylamino)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide (PubChem CID 93178723) has the molecular formula C22H26FN3O3S and a molecular weight of 431.53 g/mol. Its IUPAC name is 4-fluoro-N-[(1R)-2-oxo-2-(propylamino)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1R)-2-oxo-2-(propylamino)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide
PubChem CID93178723
Molecular FormulaC22H26FN3O3S
Molecular Weight431.53 g/mol
Exact Mass431.17
IUPAC Name4-fluoro-N-[(1R)-2-oxo-2-(propylamino)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide
SMILESCCCNC(=O)[C@H](NC(=O)c1ccc(F)cc1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C22H26FN3O3S/c1-2-11-24-21(28)19(25-20(27)16-5-7-17(23)8-6-16)15-9-12-26(13-10-15)22(29)18-4-3-14-30-18/h3-8,14-15,19H,2,9-13H2,1H3,(H,24,28)(H,25,27)/t19-/m1/s1
InChIKeySKXVCVZHMNRWJC-LJQANCHMSA-N
XLogP3.06
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide
CID 93178716
N-[(1R)-2-oxo-2-(propylamino)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 93198662
N-[(1S)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide
CID 93199147
4-methoxy-N-[(1S)-2-(2-methylpropylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide
CID 93197423
N-[(1R)-2-[[(2R)-butan-2-yl]amino]-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]-4-methylbenzamide
CID 93199786
4-fluoro-N-[(1R)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-(propylamino)ethyl]benzamide
CID 93178750
N-[(1R)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 93196772
N-[2-oxo-2-(propylamino)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide
CID 46016012
N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide
CID 46020204
N-[(1R)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 93199300
N-[2-(2-methylpropylamino)-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]thiophene-2-carboxamide
CID 46019236
N-[(1S)-2-(2-methylpropylamino)-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]thiophene-2-carboxamide
CID 93196865

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1R)-2-oxo-2-(propylamino)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[(1R)-2-oxo-2-(propylamino)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide (CID 93178723) is 4-fluoro-N-[(1R)-2-oxo-2-(propylamino)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1R)-2-oxo-2-(propylamino)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(1R)-2-oxo-2-(propylamino)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide is CCCNC(=O)[C@H](NC(=O)c1ccc(F)cc1)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 4-fluoro-N-[(1R)-2-oxo-2-(propylamino)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide?
The InChIKey is SKXVCVZHMNRWJC-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26FN3O3S/c1-2-11-24-21(28)19(25-20(27)16-5-7-17(23)8-6-16)15-9-12-26(13-10-15)22(29)18-4-3-14-30-18/h3-8,14-15,19H,2,9-13H2,1H3,(H,24,28)(H,25,27)/t19-/m1/s1.
What are the key properties of 4-fluoro-N-[(1R)-2-oxo-2-(propylamino)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide?
4-fluoro-N-[(1R)-2-oxo-2-(propylamino)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide has a molecular weight of 431.53 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1R)-2-oxo-2-(propylamino)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide is sourced from PubChem (CID 93178723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).