tert-butyl 4-[(2S)-2-[(5-fluorothiophene-2-carbonyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate

C23H30FN3O4S — CID 142509410

About tert-butyl 4-[(2S)-2-[(5-fluorothiophene-2-carbonyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate

tert-butyl 4-[(2S)-2-[(5-fluorothiophene-2-carbonyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate (PubChem CID 142509410) has the molecular formula C23H30FN3O4S and a molecular weight of 463.58 g/mol. Its IUPAC name is tert-butyl 4-[(2S)-2-[(5-fluorothiophene-2-carbonyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[(2S)-2-[(5-fluorothiophene-2-carbonyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate
• PubChem CID: 142509410
• Molecular Formula: C23H30FN3O4S
• Molecular Weight: 463.58 g/mol
• Exact Mass: 463.19
• IUPAC Name: tert-butyl 4-[(2S)-2-[(5-fluorothiophene-2-carbonyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate
• SMILES: COc1ccc([C@H](CC2CCN(C(=O)OC(C)(C)C)CC2)NC(=O)c2ccc(F)s2)cn1
• InChI: InChI=1S/C23H30FN3O4S/c1-23(2,3)31-22(29)27-11-9-15(10-12-27)13-17(16-5-8-20(30-4)25-14-16)26-21(28)18-6-7-19(24)32-18/h5-8,14-15,17H,9-13H2,1-4H3,(H,26,28)/t17-/m0/s1
• InChIKey: SXKYXGICRNGTIQ-KRWDZBQOSA-N
• XLogP: 4.80
• TPSA: 80.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.58
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2S)-2-[(5-fluorothiophene-2-carbonyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[(2S)-2-[(5-fluorothiophene-2-carbonyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate (CID 142509410) is tert-butyl 4-[(2S)-2-[(5-fluorothiophene-2-carbonyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[(2S)-2-[(5-fluorothiophene-2-carbonyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[(2S)-2-[(5-fluorothiophene-2-carbonyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate is COc1ccc([C@H](CC2CCN(C(=O)OC(C)(C)C)CC2)NC(=O)c2ccc(F)s2)cn1.

What is the InChIKey of tert-butyl 4-[(2S)-2-[(5-fluorothiophene-2-carbonyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate?

The InChIKey is SXKYXGICRNGTIQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H30FN3O4S/c1-23(2,3)31-22(29)27-11-9-15(10-12-27)13-17(16-5-8-20(30-4)25-14-16)26-21(28)18-6-7-19(24)32-18/h5-8,14-15,17H,9-13H2,1-4H3,(H,26,28)/t17-/m0/s1.

What are the key properties of tert-butyl 4-[(2S)-2-[(5-fluorothiophene-2-carbonyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate?

tert-butyl 4-[(2S)-2-[(5-fluorothiophene-2-carbonyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate has a molecular weight of 463.58 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[(2S)-2-[(5-fluorothiophene-2-carbonyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 142509410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).