1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[[4-(tetrazol-1-yl)phenyl]methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide

C30H38ClN7O2 — CID 69313655

About 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[[4-(tetrazol-1-yl)phenyl]methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide

1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[[4-(tetrazol-1-yl)phenyl]methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide (PubChem CID 69313655) has the molecular formula C30H38ClN7O2 and a molecular weight of 564.13 g/mol. Its IUPAC name is 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[[4-(tetrazol-1-yl)phenyl]methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[[4-(tetrazol-1-yl)phenyl]methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide
• PubChem CID: 69313655
• Molecular Formula: C30H38ClN7O2
• Molecular Weight: 564.13 g/mol
• Exact Mass: 563.28
• IUPAC Name: 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[[4-(tetrazol-1-yl)phenyl]methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide
• SMILES: CC(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(-n4cnnn4)cc3)CC2)c2cccc(Cl)c2)CC1
• InChI: InChI=1S/C30H38ClN7O2/c1-23(39)36-18-12-26(13-19-36)30(40)37(29-5-2-4-27(31)21-29)15-3-14-35-16-10-25(11-17-35)20-24-6-8-28(9-7-24)38-22-32-33-34-38/h2,4-9,21-22,25-26H,3,10-20H2,1H3
• InChIKey: RQZNBFUVZLGWNW-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 87.46 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.13
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[[4-(tetrazol-1-yl)phenyl]methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide?

The IUPAC name of 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[[4-(tetrazol-1-yl)phenyl]methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide (CID 69313655) is 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[[4-(tetrazol-1-yl)phenyl]methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[[4-(tetrazol-1-yl)phenyl]methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide?

The canonical SMILES for 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[[4-(tetrazol-1-yl)phenyl]methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(-n4cnnn4)cc3)CC2)c2cccc(Cl)c2)CC1.

What is the InChIKey of 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[[4-(tetrazol-1-yl)phenyl]methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide?

The InChIKey is RQZNBFUVZLGWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38ClN7O2/c1-23(39)36-18-12-26(13-19-36)30(40)37(29-5-2-4-27(31)21-29)15-3-14-35-16-10-25(11-17-35)20-24-6-8-28(9-7-24)38-22-32-33-34-38/h2,4-9,21-22,25-26H,3,10-20H2,1H3.

What are the key properties of 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[[4-(tetrazol-1-yl)phenyl]methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide?

1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[[4-(tetrazol-1-yl)phenyl]methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide has a molecular weight of 564.13 g/mol, XLogP of 4.25, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[[4-(tetrazol-1-yl)phenyl]methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide is sourced from PubChem (CID 69313655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).