N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-5-[4-(2-methylpropyl)piperidin-3-yl]benzamide

C25H31ClN6O — CID 53323725

About N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-5-[4-(2-methylpropyl)piperidin-3-yl]benzamide

N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-5-[4-(2-methylpropyl)piperidin-3-yl]benzamide (PubChem CID 53323725) has the molecular formula C25H31ClN6O and a molecular weight of 467.02 g/mol. Its IUPAC name is N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-5-[4-(2-methylpropyl)piperidin-3-yl]benzamide.

Molecular Properties

• Compound Name: N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-5-[4-(2-methylpropyl)piperidin-3-yl]benzamide
• PubChem CID: 53323725
• Molecular Formula: C25H31ClN6O
• Molecular Weight: 467.02 g/mol
• Exact Mass: 466.22
• IUPAC Name: N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-5-[4-(2-methylpropyl)piperidin-3-yl]benzamide
• SMILES: Cc1cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)cc(C2CNCCC2CC(C)C)c1
• InChI: InChI=1S/C25H31ClN6O/c1-16(2)8-18-6-7-27-14-23(18)19-9-17(3)10-20(11-19)25(33)28-13-21-12-22(26)4-5-24(21)32-15-29-30-31-32/h4-5,9-12,15-16,18,23,27H,6-8,13-14H2,1-3H3,(H,28,33)
• InChIKey: UOINQQVOVCJELJ-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.02
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-5-[4-(2-methylpropyl)piperidin-3-yl]benzamide?

The IUPAC name of N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-5-[4-(2-methylpropyl)piperidin-3-yl]benzamide (CID 53323725) is N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-5-[4-(2-methylpropyl)piperidin-3-yl]benzamide.

What is the SMILES notation for N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-5-[4-(2-methylpropyl)piperidin-3-yl]benzamide?

The canonical SMILES for N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-5-[4-(2-methylpropyl)piperidin-3-yl]benzamide is Cc1cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)cc(C2CNCCC2CC(C)C)c1.

What is the InChIKey of N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-5-[4-(2-methylpropyl)piperidin-3-yl]benzamide?

The InChIKey is UOINQQVOVCJELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN6O/c1-16(2)8-18-6-7-27-14-23(18)19-9-17(3)10-20(11-19)25(33)28-13-21-12-22(26)4-5-24(21)32-15-29-30-31-32/h4-5,9-12,15-16,18,23,27H,6-8,13-14H2,1-3H3,(H,28,33).

What are the key properties of N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-5-[4-(2-methylpropyl)piperidin-3-yl]benzamide?

N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-5-[4-(2-methylpropyl)piperidin-3-yl]benzamide has a molecular weight of 467.02 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-5-[4-(2-methylpropyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 53323725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).