2-butyl-8-(piperidine-1-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C20H34N4O2 — CID 170592075

About 2-butyl-8-(piperidine-1-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-butyl-8-(piperidine-1-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 170592075) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 2-butyl-8-(piperidine-1-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

• Compound Name: 2-butyl-8-(piperidine-1-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
• PubChem CID: 170592075
• Molecular Formula: C20H34N4O2
• Molecular Weight: 362.52 g/mol
• Exact Mass: 362.27
• IUPAC Name: 2-butyl-8-(piperidine-1-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
• SMILES: CCCCC1=NC2(CCN(C(=O)N3CCCCC3)CC2)C(=O)N1C(C)C
• InChI: InChI=1S/C20H34N4O2/c1-4-5-9-17-21-20(18(25)24(17)16(2)3)10-14-23(15-11-20)19(26)22-12-7-6-8-13-22/h16H,4-15H2,1-3H3
• InChIKey: YKXTVSWVWOCTEO-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 56.22 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.52
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-butyl-8-(piperidine-1-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?

The IUPAC name of 2-butyl-8-(piperidine-1-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 170592075) is 2-butyl-8-(piperidine-1-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

What is the SMILES notation for 2-butyl-8-(piperidine-1-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?

The canonical SMILES for 2-butyl-8-(piperidine-1-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CCCCC1=NC2(CCN(C(=O)N3CCCCC3)CC2)C(=O)N1C(C)C.

What is the InChIKey of 2-butyl-8-(piperidine-1-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?

The InChIKey is YKXTVSWVWOCTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-4-5-9-17-21-20(18(25)24(17)16(2)3)10-14-23(15-11-20)19(26)22-12-7-6-8-13-22/h16H,4-15H2,1-3H3.

What are the key properties of 2-butyl-8-(piperidine-1-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?

2-butyl-8-(piperidine-1-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 362.52 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butyl-8-(piperidine-1-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 170592075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).