N-[(1S)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide

C22H26FN3O3S — CID 93199147

About N-[(1S)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide

N-[(1S)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide (PubChem CID 93199147) has the molecular formula C22H26FN3O3S and a molecular weight of 431.53 g/mol. Its IUPAC name is N-[(1S)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide
• PubChem CID: 93199147
• Molecular Formula: C22H26FN3O3S
• Molecular Weight: 431.53 g/mol
• Exact Mass: 431.17
• IUPAC Name: N-[(1S)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide
• SMILES: CCCNC(=O)[C@@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccccc2F)CC1
• InChI: InChI=1S/C22H26FN3O3S/c1-2-11-24-21(28)19(25-20(27)18-8-5-14-30-18)15-9-12-26(13-10-15)22(29)16-6-3-4-7-17(16)23/h3-8,14-15,19H,2,9-13H2,1H3,(H,24,28)(H,25,27)/t19-/m0/s1
• InChIKey: ZSZRRHKWQFKGHD-IBGZPJMESA-N
• XLogP: 3.06
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.53
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide?

The IUPAC name of N-[(1S)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide (CID 93199147) is N-[(1S)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[(1S)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide?

The canonical SMILES for N-[(1S)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide is CCCNC(=O)[C@@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccccc2F)CC1.

What is the InChIKey of N-[(1S)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide?

The InChIKey is ZSZRRHKWQFKGHD-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26FN3O3S/c1-2-11-24-21(28)19(25-20(27)18-8-5-14-30-18)15-9-12-26(13-10-15)22(29)16-6-3-4-7-17(16)23/h3-8,14-15,19H,2,9-13H2,1H3,(H,24,28)(H,25,27)/t19-/m0/s1.

What are the key properties of N-[(1S)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide?

N-[(1S)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide 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 N-[(1S)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 93199147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).