N-[(3S,4S)-3-[1-(difluoromethyl)pyrazol-4-yl]-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N-[(3R,4R)-3-[1-(difluoromethyl)pyrazol-4-yl]-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

C42H52F10N10O4 — CID 161151404

About N-[(3S,4S)-3-[1-(difluoromethyl)pyrazol-4-yl]-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N-[(3R,4R)-3-[1-(difluoromethyl)pyrazol-4-yl]-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

N-[(3S,4S)-3-[1-(difluoromethyl)pyrazol-4-yl]-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N-[(3R,4R)-3-[1-(difluoromethyl)pyrazol-4-yl]-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (PubChem CID 161151404) has the molecular formula C42H52F10N10O4 and a molecular weight of 950.92 g/mol. Its IUPAC name is N-[(3S,4S)-3-[1-(difluoromethyl)pyrazol-4-yl]-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N-[(3R,4R)-3-[1-(difluoromethyl)pyrazol-4-yl]-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.

Molecular Properties

• Compound Name: N-[(3S,4S)-3-[1-(difluoromethyl)pyrazol-4-yl]-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N-[(3R,4R)-3-[1-(difluoromethyl)pyrazol-4-yl]-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
• PubChem CID: 161151404
• Molecular Formula: C42H52F10N10O4
• Molecular Weight: 950.92 g/mol
• Exact Mass: 950.40
• IUPAC Name: N-[(3S,4S)-3-[1-(difluoromethyl)pyrazol-4-yl]-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N-[(3R,4R)-3-[1-(difluoromethyl)pyrazol-4-yl]-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
• SMILES: CN1CC[C@@H](NC(=O)C(C)(C)COc2ncccc2C(F)(F)F)[C@H](c2cnn(C(F)F)c2)C1.CN1CC[C@H](NC(=O)C(C)(C)COc2ncccc2C(F)(F)F)[C@@H](c2cnn(C(F)F)c2)C1
• InChI: InChI=1S/2C21H26F5N5O2/c2*1-20(2,12-33-17-15(21(24,25)26)5-4-7-27-17)18(32)29-16-6-8-30(3)11-14(16)13-9-28-31(10-13)19(22)23/h2*4-5,7,9-10,14,16,19H,6,8,11-12H2,1-3H3,(H,29,32)/t2*14-,16+/m10/s1
• InChIKey: UOSMSPUBLLFSSV-PTMVTKKISA-N
• XLogP: 7.40
• TPSA: 144.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	950.92
LogP ≤ 5	7.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-[1-(difluoromethyl)pyrazol-4-yl]-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N-[(3R,4R)-3-[1-(difluoromethyl)pyrazol-4-yl]-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?

The IUPAC name of N-[(3S,4S)-3-[1-(difluoromethyl)pyrazol-4-yl]-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N-[(3R,4R)-3-[1-(difluoromethyl)pyrazol-4-yl]-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (CID 161151404) is N-[(3S,4S)-3-[1-(difluoromethyl)pyrazol-4-yl]-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N-[(3R,4R)-3-[1-(difluoromethyl)pyrazol-4-yl]-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.

What is the SMILES notation for N-[(3S,4S)-3-[1-(difluoromethyl)pyrazol-4-yl]-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N-[(3R,4R)-3-[1-(difluoromethyl)pyrazol-4-yl]-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?

The canonical SMILES for N-[(3S,4S)-3-[1-(difluoromethyl)pyrazol-4-yl]-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N-[(3R,4R)-3-[1-(difluoromethyl)pyrazol-4-yl]-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is CN1CC[C@@H](NC(=O)C(C)(C)COc2ncccc2C(F)(F)F)[C@H](c2cnn(C(F)F)c2)C1.CN1CC[C@H](NC(=O)C(C)(C)COc2ncccc2C(F)(F)F)[C@@H](c2cnn(C(F)F)c2)C1.

What is the InChIKey of N-[(3S,4S)-3-[1-(difluoromethyl)pyrazol-4-yl]-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N-[(3R,4R)-3-[1-(difluoromethyl)pyrazol-4-yl]-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?

The InChIKey is UOSMSPUBLLFSSV-PTMVTKKISA-N. The full InChI is InChI=1S/2C21H26F5N5O2/c2*1-20(2,12-33-17-15(21(24,25)26)5-4-7-27-17)18(32)29-16-6-8-30(3)11-14(16)13-9-28-31(10-13)19(22)23/h2*4-5,7,9-10,14,16,19H,6,8,11-12H2,1-3H3,(H,29,32)/t2*14-,16+/m10/s1.

What are the key properties of N-[(3S,4S)-3-[1-(difluoromethyl)pyrazol-4-yl]-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N-[(3R,4R)-3-[1-(difluoromethyl)pyrazol-4-yl]-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?

N-[(3S,4S)-3-[1-(difluoromethyl)pyrazol-4-yl]-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N-[(3R,4R)-3-[1-(difluoromethyl)pyrazol-4-yl]-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide has a molecular weight of 950.92 g/mol, XLogP of 7.40, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S,4S)-3-[1-(difluoromethyl)pyrazol-4-yl]-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N-[(3R,4R)-3-[1-(difluoromethyl)pyrazol-4-yl]-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 161151404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).