N-[6-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C26H26Cl2F3N7O3 — CID 46212635

About N-[6-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

N-[6-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 46212635) has the molecular formula C26H26Cl2F3N7O3 and a molecular weight of 612.44 g/mol. Its IUPAC name is N-[6-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[6-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• PubChem CID: 46212635
• Molecular Formula: C26H26Cl2F3N7O3
• Molecular Weight: 612.44 g/mol
• Exact Mass: 611.14
• IUPAC Name: N-[6-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• SMILES: O=C(Nc1ccc(N2CCN(C(=O)Nc3c(Cl)cccc3Cl)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F
• InChI: InChI=1S/C26H26Cl2F3N7O3/c27-17-5-4-6-18(28)20(17)34-24(40)37-13-11-36(12-14-37)19-8-7-16(15-32-19)33-23(39)21-22(26(29,30)31)35-25(41-21)38-9-2-1-3-10-38/h4-8,15H,1-3,9-14H2,(H,33,39)(H,34,40)
• InChIKey: QXMCMNBOQQAZRA-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 106.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.44
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The IUPAC name of N-[6-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 46212635) is N-[6-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

What is the SMILES notation for N-[6-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The canonical SMILES for N-[6-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is O=C(Nc1ccc(N2CCN(C(=O)Nc3c(Cl)cccc3Cl)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F.

What is the InChIKey of N-[6-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The InChIKey is QXMCMNBOQQAZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2F3N7O3/c27-17-5-4-6-18(28)20(17)34-24(40)37-13-11-36(12-14-37)19-8-7-16(15-32-19)33-23(39)21-22(26(29,30)31)35-25(41-21)38-9-2-1-3-10-38/h4-8,15H,1-3,9-14H2,(H,33,39)(H,34,40).

What are the key properties of N-[6-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

N-[6-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 612.44 g/mol, XLogP of 5.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46212635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).