2-[4-[5-(4-chlorophenyl)tetrazol-2-yl]piperidin-1-yl]-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-oxoacetamide

C27H30ClN9O3 — CID 167817008

About 2-[4-[5-(4-chlorophenyl)tetrazol-2-yl]piperidin-1-yl]-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-oxoacetamide

2-[4-[5-(4-chlorophenyl)tetrazol-2-yl]piperidin-1-yl]-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-oxoacetamide (PubChem CID 167817008) has the molecular formula C27H30ClN9O3 and a molecular weight of 564.05 g/mol. Its IUPAC name is 2-[4-[5-(4-chlorophenyl)tetrazol-2-yl]piperidin-1-yl]-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-oxoacetamide.

Molecular Properties

• Compound Name: 2-[4-[5-(4-chlorophenyl)tetrazol-2-yl]piperidin-1-yl]-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-oxoacetamide
• PubChem CID: 167817008
• Molecular Formula: C27H30ClN9O3
• Molecular Weight: 564.05 g/mol
• Exact Mass: 563.22
• IUPAC Name: 2-[4-[5-(4-chlorophenyl)tetrazol-2-yl]piperidin-1-yl]-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-oxoacetamide
• SMILES: O=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1)C(=O)N1CCC(n2nnc(-c3ccc(Cl)cc3)n2)CC1
• InChI: InChI=1S/C27H30ClN9O3/c28-20-5-3-18(4-6-20)24-31-33-37(32-24)22-9-11-35(12-10-22)27(40)25(38)30-21-7-8-23(29-17-21)34-13-15-36(16-14-34)26(39)19-1-2-19/h3-8,17,19,22H,1-2,9-16H2,(H,30,38)
• InChIKey: AVEIDVGWOYAUEF-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 129.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.05
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(4-chlorophenyl)tetrazol-2-yl]piperidin-1-yl]-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-oxoacetamide?

The IUPAC name of 2-[4-[5-(4-chlorophenyl)tetrazol-2-yl]piperidin-1-yl]-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-oxoacetamide (CID 167817008) is 2-[4-[5-(4-chlorophenyl)tetrazol-2-yl]piperidin-1-yl]-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-oxoacetamide.

What is the SMILES notation for 2-[4-[5-(4-chlorophenyl)tetrazol-2-yl]piperidin-1-yl]-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-oxoacetamide?

The canonical SMILES for 2-[4-[5-(4-chlorophenyl)tetrazol-2-yl]piperidin-1-yl]-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-oxoacetamide is O=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1)C(=O)N1CCC(n2nnc(-c3ccc(Cl)cc3)n2)CC1.

What is the InChIKey of 2-[4-[5-(4-chlorophenyl)tetrazol-2-yl]piperidin-1-yl]-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-oxoacetamide?

The InChIKey is AVEIDVGWOYAUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN9O3/c28-20-5-3-18(4-6-20)24-31-33-37(32-24)22-9-11-35(12-10-22)27(40)25(38)30-21-7-8-23(29-17-21)34-13-15-36(16-14-34)26(39)19-1-2-19/h3-8,17,19,22H,1-2,9-16H2,(H,30,38).

What are the key properties of 2-[4-[5-(4-chlorophenyl)tetrazol-2-yl]piperidin-1-yl]-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-oxoacetamide?

2-[4-[5-(4-chlorophenyl)tetrazol-2-yl]piperidin-1-yl]-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-oxoacetamide has a molecular weight of 564.05 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-(4-chlorophenyl)tetrazol-2-yl]piperidin-1-yl]-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-oxoacetamide is sourced from PubChem (CID 167817008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).