N-tert-butyl-1-[(2R)-2-[[1-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-3-(4-fluorophenyl)propanoyl]-4-(2-methylpropyl)piperidine-4-carboxamide

C36H51FN4O3 — CID 10282344

About N-tert-butyl-1-[(2R)-2-[[1-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-3-(4-fluorophenyl)propanoyl]-4-(2-methylpropyl)piperidine-4-carboxamide

N-tert-butyl-1-[(2R)-2-[[1-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-3-(4-fluorophenyl)propanoyl]-4-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 10282344) has the molecular formula C36H51FN4O3 and a molecular weight of 606.83 g/mol. Its IUPAC name is N-tert-butyl-1-[(2R)-2-[[1-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-3-(4-fluorophenyl)propanoyl]-4-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-tert-butyl-1-[(2R)-2-[[1-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-3-(4-fluorophenyl)propanoyl]-4-(2-methylpropyl)piperidine-4-carboxamide
• PubChem CID: 10282344
• Molecular Formula: C36H51FN4O3
• Molecular Weight: 606.83 g/mol
• Exact Mass: 606.39
• IUPAC Name: N-tert-butyl-1-[(2R)-2-[[1-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-3-(4-fluorophenyl)propanoyl]-4-(2-methylpropyl)piperidine-4-carboxamide
• SMILES: CC(C)CC1(C(=O)NC(C)(C)C)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C2CCc3ccccc3C2N(C)C)CC1
• InChI: InChI=1S/C36H51FN4O3/c1-24(2)23-36(34(44)39-35(3,4)5)18-20-41(21-19-36)33(43)30(22-25-12-15-27(37)16-13-25)38-32(42)29-17-14-26-10-8-9-11-28(26)31(29)40(6)7/h8-13,15-16,24,29-31H,14,17-23H2,1-7H3,(H,38,42)(H,39,44)/t29?,30-,31?/m1/s1
• InChIKey: ANCSYXSCFYPVGF-DHNZSJTASA-N
• XLogP: 5.29
• TPSA: 81.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.83
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[(2R)-2-[[1-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-3-(4-fluorophenyl)propanoyl]-4-(2-methylpropyl)piperidine-4-carboxamide?

The IUPAC name of N-tert-butyl-1-[(2R)-2-[[1-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-3-(4-fluorophenyl)propanoyl]-4-(2-methylpropyl)piperidine-4-carboxamide (CID 10282344) is N-tert-butyl-1-[(2R)-2-[[1-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-3-(4-fluorophenyl)propanoyl]-4-(2-methylpropyl)piperidine-4-carboxamide.

What is the SMILES notation for N-tert-butyl-1-[(2R)-2-[[1-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-3-(4-fluorophenyl)propanoyl]-4-(2-methylpropyl)piperidine-4-carboxamide?

The canonical SMILES for N-tert-butyl-1-[(2R)-2-[[1-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-3-(4-fluorophenyl)propanoyl]-4-(2-methylpropyl)piperidine-4-carboxamide is CC(C)CC1(C(=O)NC(C)(C)C)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C2CCc3ccccc3C2N(C)C)CC1.

What is the InChIKey of N-tert-butyl-1-[(2R)-2-[[1-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-3-(4-fluorophenyl)propanoyl]-4-(2-methylpropyl)piperidine-4-carboxamide?

The InChIKey is ANCSYXSCFYPVGF-DHNZSJTASA-N. The full InChI is InChI=1S/C36H51FN4O3/c1-24(2)23-36(34(44)39-35(3,4)5)18-20-41(21-19-36)33(43)30(22-25-12-15-27(37)16-13-25)38-32(42)29-17-14-26-10-8-9-11-28(26)31(29)40(6)7/h8-13,15-16,24,29-31H,14,17-23H2,1-7H3,(H,38,42)(H,39,44)/t29?,30-,31?/m1/s1.

What are the key properties of N-tert-butyl-1-[(2R)-2-[[1-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-3-(4-fluorophenyl)propanoyl]-4-(2-methylpropyl)piperidine-4-carboxamide?

N-tert-butyl-1-[(2R)-2-[[1-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-3-(4-fluorophenyl)propanoyl]-4-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 606.83 g/mol, XLogP of 5.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-1-[(2R)-2-[[1-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-3-(4-fluorophenyl)propanoyl]-4-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 10282344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).