1-phenyl-8-[4-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidine-1-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one

C37H43N5O3 — CID 3510475

About 1-phenyl-8-[4-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidine-1-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one

1-phenyl-8-[4-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidine-1-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 3510475) has the molecular formula C37H43N5O3 and a molecular weight of 605.78 g/mol. Its IUPAC name is 1-phenyl-8-[4-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidine-1-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

• Compound Name: 1-phenyl-8-[4-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidine-1-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one
• PubChem CID: 3510475
• Molecular Formula: C37H43N5O3
• Molecular Weight: 605.78 g/mol
• Exact Mass: 605.34
• IUPAC Name: 1-phenyl-8-[4-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidine-1-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one
• SMILES: O=C(c1ccc(-c2ccccc2)cc1)N1CCC(C2CCN(C(=O)N3CCC4(CC3)C(=O)NCN4c3ccccc3)CC2)CC1
• InChI: InChI=1S/C37H43N5O3/c43-34(32-13-11-29(12-14-32)28-7-3-1-4-8-28)39-21-15-30(16-22-39)31-17-23-40(24-18-31)36(45)41-25-19-37(20-26-41)35(44)38-27-42(37)33-9-5-2-6-10-33/h1-14,30-31H,15-27H2,(H,38,44)
• InChIKey: WNHPTUFAMNYNID-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 76.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.78
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-8-[4-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidine-1-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one?

The IUPAC name of 1-phenyl-8-[4-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidine-1-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one (CID 3510475) is 1-phenyl-8-[4-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidine-1-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one.

What is the SMILES notation for 1-phenyl-8-[4-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidine-1-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one?

The canonical SMILES for 1-phenyl-8-[4-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidine-1-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one is O=C(c1ccc(-c2ccccc2)cc1)N1CCC(C2CCN(C(=O)N3CCC4(CC3)C(=O)NCN4c3ccccc3)CC2)CC1.

What is the InChIKey of 1-phenyl-8-[4-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidine-1-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one?

The InChIKey is WNHPTUFAMNYNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H43N5O3/c43-34(32-13-11-29(12-14-32)28-7-3-1-4-8-28)39-21-15-30(16-22-39)31-17-23-40(24-18-31)36(45)41-25-19-37(20-26-41)35(44)38-27-42(37)33-9-5-2-6-10-33/h1-14,30-31H,15-27H2,(H,38,44).

What are the key properties of 1-phenyl-8-[4-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidine-1-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one?

1-phenyl-8-[4-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidine-1-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 605.78 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-phenyl-8-[4-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidine-1-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 3510475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).