8-(naphthalene-2-carbonyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C30H32N4O3 — CID 5107632

About 8-(naphthalene-2-carbonyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-(naphthalene-2-carbonyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 5107632) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is 8-(naphthalene-2-carbonyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

• Compound Name: 8-(naphthalene-2-carbonyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
• PubChem CID: 5107632
• Molecular Formula: C30H32N4O3
• Molecular Weight: 496.61 g/mol
• Exact Mass: 496.25
• IUPAC Name: 8-(naphthalene-2-carbonyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
• SMILES: O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc4ccccc4c3)CC2)C1=O)N1CCCC1
• InChI: InChI=1S/C30H32N4O3/c35-27(31-16-6-7-17-31)21-33-22-34(26-10-2-1-3-11-26)30(29(33)37)14-18-32(19-15-30)28(36)25-13-12-23-8-4-5-9-24(23)20-25/h1-5,8-13,20H,6-7,14-19,21-22H2
• InChIKey: ZNLVHEKNGAEPFQ-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 64.17 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.61
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-(naphthalene-2-carbonyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?

The IUPAC name of 8-(naphthalene-2-carbonyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 5107632) is 8-(naphthalene-2-carbonyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

What is the SMILES notation for 8-(naphthalene-2-carbonyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?

The canonical SMILES for 8-(naphthalene-2-carbonyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc4ccccc4c3)CC2)C1=O)N1CCCC1.

What is the InChIKey of 8-(naphthalene-2-carbonyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?

The InChIKey is ZNLVHEKNGAEPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O3/c35-27(31-16-6-7-17-31)21-33-22-34(26-10-2-1-3-11-26)30(29(33)37)14-18-32(19-15-30)28(36)25-13-12-23-8-4-5-9-24(23)20-25/h1-5,8-13,20H,6-7,14-19,21-22H2.

What are the key properties of 8-(naphthalene-2-carbonyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?

8-(naphthalene-2-carbonyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 496.61 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(naphthalene-2-carbonyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 5107632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).