N-[(2R)-1-[4-(4-fluorocyclohexa-1,3-dien-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-dihydropyridine-4-carboxamide

C24H34FN3O2 — CID 58457866

About N-[(2R)-1-[4-(4-fluorocyclohexa-1,3-dien-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-dihydropyridine-4-carboxamide

N-[(2R)-1-[4-(4-fluorocyclohexa-1,3-dien-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-dihydropyridine-4-carboxamide (PubChem CID 58457866) has the molecular formula C24H34FN3O2 and a molecular weight of 415.55 g/mol. Its IUPAC name is N-[(2R)-1-[4-(4-fluorocyclohexa-1,3-dien-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-dihydropyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[4-(4-fluorocyclohexa-1,3-dien-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-dihydropyridine-4-carboxamide
• PubChem CID: 58457866
• Molecular Formula: C24H34FN3O2
• Molecular Weight: 415.55 g/mol
• Exact Mass: 415.26
• IUPAC Name: N-[(2R)-1-[4-(4-fluorocyclohexa-1,3-dien-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-dihydropyridine-4-carboxamide
• SMILES: CC(C)[C@@H](NC(=O)C1=CCNC=C1)C(=O)N1CCC(C2=CC=C(F)CC2)C(C)(C)C1
• InChI: InChI=1S/C24H34FN3O2/c1-16(2)21(27-22(29)18-9-12-26-13-10-18)23(30)28-14-11-20(24(3,4)15-28)17-5-7-19(25)8-6-17/h5,7,9-10,12,16,20-21,26H,6,8,11,13-15H2,1-4H3,(H,27,29)/t20?,21-/m1/s1
• InChIKey: ZWLXYHKIKMMKNL-BPGUCPLFSA-N
• XLogP: 3.62
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.55
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-(4-fluorocyclohexa-1,3-dien-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-dihydropyridine-4-carboxamide?

The IUPAC name of N-[(2R)-1-[4-(4-fluorocyclohexa-1,3-dien-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-dihydropyridine-4-carboxamide (CID 58457866) is N-[(2R)-1-[4-(4-fluorocyclohexa-1,3-dien-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-dihydropyridine-4-carboxamide.

What is the SMILES notation for N-[(2R)-1-[4-(4-fluorocyclohexa-1,3-dien-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-dihydropyridine-4-carboxamide?

The canonical SMILES for N-[(2R)-1-[4-(4-fluorocyclohexa-1,3-dien-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-dihydropyridine-4-carboxamide is CC(C)[C@@H](NC(=O)C1=CCNC=C1)C(=O)N1CCC(C2=CC=C(F)CC2)C(C)(C)C1.

What is the InChIKey of N-[(2R)-1-[4-(4-fluorocyclohexa-1,3-dien-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-dihydropyridine-4-carboxamide?

The InChIKey is ZWLXYHKIKMMKNL-BPGUCPLFSA-N. The full InChI is InChI=1S/C24H34FN3O2/c1-16(2)21(27-22(29)18-9-12-26-13-10-18)23(30)28-14-11-20(24(3,4)15-28)17-5-7-19(25)8-6-17/h5,7,9-10,12,16,20-21,26H,6,8,11,13-15H2,1-4H3,(H,27,29)/t20?,21-/m1/s1.

What are the key properties of N-[(2R)-1-[4-(4-fluorocyclohexa-1,3-dien-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-dihydropyridine-4-carboxamide?

N-[(2R)-1-[4-(4-fluorocyclohexa-1,3-dien-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-dihydropyridine-4-carboxamide has a molecular weight of 415.55 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[4-(4-fluorocyclohexa-1,3-dien-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-dihydropyridine-4-carboxamide is sourced from PubChem (CID 58457866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).