N-[2-[4-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methylamino]-3-phenylpiperidin-1-yl]-2-oxoethyl]-N-methylformamide;hydrochloride

C25H29ClF3N7O3 — CID 87914427

About N-[2-[4-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methylamino]-3-phenylpiperidin-1-yl]-2-oxoethyl]-N-methylformamide;hydrochloride

N-[2-[4-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methylamino]-3-phenylpiperidin-1-yl]-2-oxoethyl]-N-methylformamide;hydrochloride (PubChem CID 87914427) has the molecular formula C25H29ClF3N7O3 and a molecular weight of 568.00 g/mol. Its IUPAC name is N-[2-[4-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methylamino]-3-phenylpiperidin-1-yl]-2-oxoethyl]-N-methylformamide;hydrochloride.

Molecular Properties

• Compound Name: N-[2-[4-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methylamino]-3-phenylpiperidin-1-yl]-2-oxoethyl]-N-methylformamide;hydrochloride
• PubChem CID: 87914427
• Molecular Formula: C25H29ClF3N7O3
• Molecular Weight: 568.00 g/mol
• Exact Mass: 567.20
• IUPAC Name: N-[2-[4-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methylamino]-3-phenylpiperidin-1-yl]-2-oxoethyl]-N-methylformamide;hydrochloride
• SMILES: COc1ccc(-n2nnnc2C(F)(F)F)cc1CNC1CCN(C(=O)CN(C)C=O)CC1c1ccccc1.Cl
• InChI: InChI=1S/C25H28F3N7O3.ClH/c1-33(16-36)15-23(37)34-11-10-21(20(14-34)17-6-4-3-5-7-17)29-13-18-12-19(8-9-22(18)38-2)35-24(25(26,27)28)30-31-32-35;/h3-9,12,16,20-21,29H,10-11,13-15H2,1-2H3;1H
• InChIKey: GBUOSAZUWBWABB-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 105.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.00
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methylamino]-3-phenylpiperidin-1-yl]-2-oxoethyl]-N-methylformamide;hydrochloride?

The IUPAC name of N-[2-[4-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methylamino]-3-phenylpiperidin-1-yl]-2-oxoethyl]-N-methylformamide;hydrochloride (CID 87914427) is N-[2-[4-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methylamino]-3-phenylpiperidin-1-yl]-2-oxoethyl]-N-methylformamide;hydrochloride.

What is the SMILES notation for N-[2-[4-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methylamino]-3-phenylpiperidin-1-yl]-2-oxoethyl]-N-methylformamide;hydrochloride?

The canonical SMILES for N-[2-[4-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methylamino]-3-phenylpiperidin-1-yl]-2-oxoethyl]-N-methylformamide;hydrochloride is COc1ccc(-n2nnnc2C(F)(F)F)cc1CNC1CCN(C(=O)CN(C)C=O)CC1c1ccccc1.Cl.

What is the InChIKey of N-[2-[4-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methylamino]-3-phenylpiperidin-1-yl]-2-oxoethyl]-N-methylformamide;hydrochloride?

The InChIKey is GBUOSAZUWBWABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N7O3.ClH/c1-33(16-36)15-23(37)34-11-10-21(20(14-34)17-6-4-3-5-7-17)29-13-18-12-19(8-9-22(18)38-2)35-24(25(26,27)28)30-31-32-35;/h3-9,12,16,20-21,29H,10-11,13-15H2,1-2H3;1H.

What are the key properties of N-[2-[4-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methylamino]-3-phenylpiperidin-1-yl]-2-oxoethyl]-N-methylformamide;hydrochloride?

N-[2-[4-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methylamino]-3-phenylpiperidin-1-yl]-2-oxoethyl]-N-methylformamide;hydrochloride has a molecular weight of 568.00 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methylamino]-3-phenylpiperidin-1-yl]-2-oxoethyl]-N-methylformamide;hydrochloride is sourced from PubChem (CID 87914427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).