[4-[(3,5-dimethyl-2-pyridinyl)methyl-[[3-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]methyl]amino]piperidin-1-yl]-imidazol-1-ylmethanone;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[3-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]methyl]piperidin-4-amine

C60H72F2N10O — CID 87784004

About [4-[(3,5-dimethyl-2-pyridinyl)methyl-[[3-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]methyl]amino]piperidin-1-yl]-imidazol-1-ylmethanone;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[3-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]methyl]piperidin-4-amine

[4-[(3,5-dimethyl-2-pyridinyl)methyl-[[3-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]methyl]amino]piperidin-1-yl]-imidazol-1-ylmethanone;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[3-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]methyl]piperidin-4-amine (PubChem CID 87784004) has the molecular formula C60H72F2N10O and a molecular weight of 987.30 g/mol. Its IUPAC name is [4-[(3,5-dimethyl-2-pyridinyl)methyl-[[3-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]methyl]amino]piperidin-1-yl]-imidazol-1-ylmethanone;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[3-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]methyl]piperidin-4-amine.

Molecular Properties

• Compound Name: [4-[(3,5-dimethyl-2-pyridinyl)methyl-[[3-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]methyl]amino]piperidin-1-yl]-imidazol-1-ylmethanone;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[3-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]methyl]piperidin-4-amine
• PubChem CID: 87784004
• Molecular Formula: C60H72F2N10O
• Molecular Weight: 987.30 g/mol
• Exact Mass: 986.59
• IUPAC Name: [4-[(3,5-dimethyl-2-pyridinyl)methyl-[[3-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]methyl]amino]piperidin-1-yl]-imidazol-1-ylmethanone;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[3-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]methyl]piperidin-4-amine
• SMILES: Cc1cnc(CN(Cc2ncccc2C(C)(C)c2ccc(F)cc2)C2CCN(C(=O)n3ccnc3)CC2)c(C)c1.Cc1cnc(CN(Cc2ncccc2C(C)(C)c2ccc(F)cc2)C2CCNCC2)c(C)c1
• InChI: InChI=1S/C32H37FN6O.C28H35FN4/c1-23-18-24(2)29(36-19-23)20-39(27-11-15-37(16-12-27)31(40)38-17-14-34-22-38)21-30-28(6-5-13-35-30)32(3,4)25-7-9-26(33)10-8-25;1-20-16-21(2)26(32-17-20)18-33(24-11-14-30-15-12-24)19-27-25(6-5-13-31-27)28(3,4)22-7-9-23(29)10-8-22/h5-10,13-14,17-19,22,27H,11-12,15-16,20-21H2,1-4H3;5-10,13,16-17,24,30H,11-12,14-15,18-19H2,1-4H3
• InChIKey: RQUSHJZIZRICAY-UHFFFAOYSA-N
• XLogP: 11.20
• TPSA: 108.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	987.30
LogP ≤ 5	11.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethyl-2-pyridinyl)methyl-[[3-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]methyl]amino]piperidin-1-yl]-imidazol-1-ylmethanone;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[3-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]methyl]piperidin-4-amine?

The IUPAC name of [4-[(3,5-dimethyl-2-pyridinyl)methyl-[[3-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]methyl]amino]piperidin-1-yl]-imidazol-1-ylmethanone;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[3-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]methyl]piperidin-4-amine (CID 87784004) is [4-[(3,5-dimethyl-2-pyridinyl)methyl-[[3-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]methyl]amino]piperidin-1-yl]-imidazol-1-ylmethanone;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[3-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]methyl]piperidin-4-amine.

What is the SMILES notation for [4-[(3,5-dimethyl-2-pyridinyl)methyl-[[3-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]methyl]amino]piperidin-1-yl]-imidazol-1-ylmethanone;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[3-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]methyl]piperidin-4-amine?

The canonical SMILES for [4-[(3,5-dimethyl-2-pyridinyl)methyl-[[3-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]methyl]amino]piperidin-1-yl]-imidazol-1-ylmethanone;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[3-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]methyl]piperidin-4-amine is Cc1cnc(CN(Cc2ncccc2C(C)(C)c2ccc(F)cc2)C2CCN(C(=O)n3ccnc3)CC2)c(C)c1.Cc1cnc(CN(Cc2ncccc2C(C)(C)c2ccc(F)cc2)C2CCNCC2)c(C)c1.

What is the InChIKey of [4-[(3,5-dimethyl-2-pyridinyl)methyl-[[3-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]methyl]amino]piperidin-1-yl]-imidazol-1-ylmethanone;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[3-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]methyl]piperidin-4-amine?

The InChIKey is RQUSHJZIZRICAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37FN6O.C28H35FN4/c1-23-18-24(2)29(36-19-23)20-39(27-11-15-37(16-12-27)31(40)38-17-14-34-22-38)21-30-28(6-5-13-35-30)32(3,4)25-7-9-26(33)10-8-25;1-20-16-21(2)26(32-17-20)18-33(24-11-14-30-15-12-24)19-27-25(6-5-13-31-27)28(3,4)22-7-9-23(29)10-8-22/h5-10,13-14,17-19,22,27H,11-12,15-16,20-21H2,1-4H3;5-10,13,16-17,24,30H,11-12,14-15,18-19H2,1-4H3.

What are the key properties of [4-[(3,5-dimethyl-2-pyridinyl)methyl-[[3-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]methyl]amino]piperidin-1-yl]-imidazol-1-ylmethanone;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[3-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]methyl]piperidin-4-amine?

[4-[(3,5-dimethyl-2-pyridinyl)methyl-[[3-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]methyl]amino]piperidin-1-yl]-imidazol-1-ylmethanone;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[3-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]methyl]piperidin-4-amine has a molecular weight of 987.30 g/mol, XLogP of 11.20, 14 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(3,5-dimethyl-2-pyridinyl)methyl-[[3-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]methyl]amino]piperidin-1-yl]-imidazol-1-ylmethanone;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[3-[2-(4-fluorophenyl)propan-2-yl]-2-pyridinyl]methyl]piperidin-4-amine is sourced from PubChem (CID 87784004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).