2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide

C21H30ClN7O2 — CID 55658400

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide (PubChem CID 55658400) has the molecular formula C21H30ClN7O2 and a molecular weight of 447.97 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide.

Molecular Properties

• Compound Name: 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide
• PubChem CID: 55658400
• Molecular Formula: C21H30ClN7O2
• Molecular Weight: 447.97 g/mol
• Exact Mass: 447.21
• IUPAC Name: 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide
• SMILES: CCCNC(=O)CN1CCC(NC(=O)C(CC)n2nnc(-c3ccc(Cl)cc3)n2)CC1
• InChI: InChI=1S/C21H30ClN7O2/c1-3-11-23-19(30)14-28-12-9-17(10-13-28)24-21(31)18(4-2)29-26-20(25-27-29)15-5-7-16(22)8-6-15/h5-8,17-18H,3-4,9-14H2,1-2H3,(H,23,30)(H,24,31)
• InChIKey: UGMLYYINUWAXHA-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 105.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.97
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide?

The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide (CID 55658400) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide.

What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide?

The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide is CCCNC(=O)CN1CCC(NC(=O)C(CC)n2nnc(-c3ccc(Cl)cc3)n2)CC1.

What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide?

The InChIKey is UGMLYYINUWAXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN7O2/c1-3-11-23-19(30)14-28-12-9-17(10-13-28)24-21(31)18(4-2)29-26-20(25-27-29)15-5-7-16(22)8-6-15/h5-8,17-18H,3-4,9-14H2,1-2H3,(H,23,30)(H,24,31).

What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide?

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide has a molecular weight of 447.97 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide is sourced from PubChem (CID 55658400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).