N-[(R)-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide

C23H23F2N3OS — CID 92577202

About N-[(R)-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide

N-[(R)-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide (PubChem CID 92577202) has the molecular formula C23H23F2N3OS and a molecular weight of 427.52 g/mol. Its IUPAC name is N-[(R)-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(R)-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide
• PubChem CID: 92577202
• Molecular Formula: C23H23F2N3OS
• Molecular Weight: 427.52 g/mol
• Exact Mass: 427.15
• IUPAC Name: N-[(R)-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide
• SMILES: O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1)c1cccs1
• InChI: InChI=1S/C23H23F2N3OS/c24-18-9-8-16(13-19(18)25)14-28-11-3-5-17(15-28)22(20-6-1-2-10-26-20)27-23(29)21-7-4-12-30-21/h1-2,4,6-10,12-13,17,22H,3,5,11,14-15H2,(H,27,29)/t17-,22+/m0/s1
• InChIKey: BDSNDCCWSDDRFK-HTAPYJJXSA-N
• XLogP: 4.80
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.52
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide?

The IUPAC name of N-[(R)-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide (CID 92577202) is N-[(R)-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[(R)-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide?

The canonical SMILES for N-[(R)-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide is O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1)c1cccs1.

What is the InChIKey of N-[(R)-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide?

The InChIKey is BDSNDCCWSDDRFK-HTAPYJJXSA-N. The full InChI is InChI=1S/C23H23F2N3OS/c24-18-9-8-16(13-19(18)25)14-28-11-3-5-17(15-28)22(20-6-1-2-10-26-20)27-23(29)21-7-4-12-30-21/h1-2,4,6-10,12-13,17,22H,3,5,11,14-15H2,(H,27,29)/t17-,22+/m0/s1.

What are the key properties of N-[(R)-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide?

N-[(R)-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide has a molecular weight of 427.52 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(R)-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide is sourced from PubChem (CID 92577202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).