N-[1-[4-[(1-acetylpiperidin-4-yl)-(2-methylpropyl)amino]piperidin-1-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-3-amino-3-(2-fluorophenyl)propanamide

C34H47ClFN5O3 — CID 75153234

About N-[1-[4-[(1-acetylpiperidin-4-yl)-(2-methylpropyl)amino]piperidin-1-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-3-amino-3-(2-fluorophenyl)propanamide

N-[1-[4-[(1-acetylpiperidin-4-yl)-(2-methylpropyl)amino]piperidin-1-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-3-amino-3-(2-fluorophenyl)propanamide (PubChem CID 75153234) has the molecular formula C34H47ClFN5O3 and a molecular weight of 628.23 g/mol. Its IUPAC name is N-[1-[4-[(1-acetylpiperidin-4-yl)-(2-methylpropyl)amino]piperidin-1-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-3-amino-3-(2-fluorophenyl)propanamide.

Molecular Properties

• Compound Name: N-[1-[4-[(1-acetylpiperidin-4-yl)-(2-methylpropyl)amino]piperidin-1-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-3-amino-3-(2-fluorophenyl)propanamide
• PubChem CID: 75153234
• Molecular Formula: C34H47ClFN5O3
• Molecular Weight: 628.23 g/mol
• Exact Mass: 627.34
• IUPAC Name: N-[1-[4-[(1-acetylpiperidin-4-yl)-(2-methylpropyl)amino]piperidin-1-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-3-amino-3-(2-fluorophenyl)propanamide
• SMILES: CC(=O)N1CCC(N(CC(C)C)C2CCN(C(=O)C(Cc3ccc(Cl)cc3)NC(=O)CC(N)c3ccccc3F)CC2)CC1
• InChI: InChI=1S/C34H47ClFN5O3/c1-23(2)22-41(27-12-16-39(17-13-27)24(3)42)28-14-18-40(19-15-28)34(44)32(20-25-8-10-26(35)11-9-25)38-33(43)21-31(37)29-6-4-5-7-30(29)36/h4-11,23,27-28,31-32H,12-22,37H2,1-3H3,(H,38,43)
• InChIKey: BGFWGXMEPYJKIC-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 98.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	628.23
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(1-acetylpiperidin-4-yl)-(2-methylpropyl)amino]piperidin-1-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-3-amino-3-(2-fluorophenyl)propanamide?

The IUPAC name of N-[1-[4-[(1-acetylpiperidin-4-yl)-(2-methylpropyl)amino]piperidin-1-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-3-amino-3-(2-fluorophenyl)propanamide (CID 75153234) is N-[1-[4-[(1-acetylpiperidin-4-yl)-(2-methylpropyl)amino]piperidin-1-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-3-amino-3-(2-fluorophenyl)propanamide.

What is the SMILES notation for N-[1-[4-[(1-acetylpiperidin-4-yl)-(2-methylpropyl)amino]piperidin-1-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-3-amino-3-(2-fluorophenyl)propanamide?

The canonical SMILES for N-[1-[4-[(1-acetylpiperidin-4-yl)-(2-methylpropyl)amino]piperidin-1-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-3-amino-3-(2-fluorophenyl)propanamide is CC(=O)N1CCC(N(CC(C)C)C2CCN(C(=O)C(Cc3ccc(Cl)cc3)NC(=O)CC(N)c3ccccc3F)CC2)CC1.

What is the InChIKey of N-[1-[4-[(1-acetylpiperidin-4-yl)-(2-methylpropyl)amino]piperidin-1-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-3-amino-3-(2-fluorophenyl)propanamide?

The InChIKey is BGFWGXMEPYJKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H47ClFN5O3/c1-23(2)22-41(27-12-16-39(17-13-27)24(3)42)28-14-18-40(19-15-28)34(44)32(20-25-8-10-26(35)11-9-25)38-33(43)21-31(37)29-6-4-5-7-30(29)36/h4-11,23,27-28,31-32H,12-22,37H2,1-3H3,(H,38,43).

What are the key properties of N-[1-[4-[(1-acetylpiperidin-4-yl)-(2-methylpropyl)amino]piperidin-1-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-3-amino-3-(2-fluorophenyl)propanamide?

N-[1-[4-[(1-acetylpiperidin-4-yl)-(2-methylpropyl)amino]piperidin-1-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-3-amino-3-(2-fluorophenyl)propanamide has a molecular weight of 628.23 g/mol, XLogP of 4.56, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-[(1-acetylpiperidin-4-yl)-(2-methylpropyl)amino]piperidin-1-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-3-amino-3-(2-fluorophenyl)propanamide is sourced from PubChem (CID 75153234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).