N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]thiophene-2-carboxamide

C28H32N4O2S — CID 59999071

About N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]thiophene-2-carboxamide

N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]thiophene-2-carboxamide (PubChem CID 59999071) has the molecular formula C28H32N4O2S and a molecular weight of 488.66 g/mol. Its IUPAC name is N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]thiophene-2-carboxamide
• PubChem CID: 59999071
• Molecular Formula: C28H32N4O2S
• Molecular Weight: 488.66 g/mol
• Exact Mass: 488.22
• IUPAC Name: N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]thiophene-2-carboxamide
• SMILES: O=C(NC(CCN1CCC2(CC1)CCN(Cc1cccnc1)C2=O)c1ccccc1)c1cccs1
• InChI: InChI=1S/C28H32N4O2S/c33-26(25-9-5-19-35-25)30-24(23-7-2-1-3-8-23)10-15-31-16-11-28(12-17-31)13-18-32(27(28)34)21-22-6-4-14-29-20-22/h1-9,14,19-20,24H,10-13,15-18,21H2,(H,30,33)
• InChIKey: LCBFGRIDCQRGOR-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.66
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]thiophene-2-carboxamide?

The IUPAC name of N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]thiophene-2-carboxamide (CID 59999071) is N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]thiophene-2-carboxamide?

The canonical SMILES for N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]thiophene-2-carboxamide is O=C(NC(CCN1CCC2(CC1)CCN(Cc1cccnc1)C2=O)c1ccccc1)c1cccs1.

What is the InChIKey of N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]thiophene-2-carboxamide?

The InChIKey is LCBFGRIDCQRGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2S/c33-26(25-9-5-19-35-25)30-24(23-7-2-1-3-8-23)10-15-31-16-11-28(12-17-31)13-18-32(27(28)34)21-22-6-4-14-29-20-22/h1-9,14,19-20,24H,10-13,15-18,21H2,(H,30,33).

What are the key properties of N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]thiophene-2-carboxamide?

N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]thiophene-2-carboxamide has a molecular weight of 488.66 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]thiophene-2-carboxamide is sourced from PubChem (CID 59999071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).