N-[1-[1-[[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide

C30H39F3N6O3 — CID 135332080

About N-[1-[1-[[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide

N-[1-[1-[[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide (PubChem CID 135332080) has the molecular formula C30H39F3N6O3 and a molecular weight of 588.68 g/mol. Its IUPAC name is N-[1-[1-[[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-[1-[[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide
• PubChem CID: 135332080
• Molecular Formula: C30H39F3N6O3
• Molecular Weight: 588.68 g/mol
• Exact Mass: 588.30
• IUPAC Name: N-[1-[1-[[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide
• SMILES: CC(=O)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C(F)(F)F)cc3N3CCC4(CCOCC4)C3)CC2)n1
• InChI: InChI=1S/C30H39F3N6O3/c1-22(40)34-26-5-13-39(35-26)27(41)36-15-8-29(9-16-36)6-2-12-38(29)20-23-3-4-24(30(31,32)33)19-25(23)37-14-7-28(21-37)10-17-42-18-11-28/h3-5,13,19H,2,6-12,14-18,20-21H2,1H3,(H,34,35,40)
• InChIKey: SEVSXGVDGLKHDG-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 82.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	588.68
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide?

The IUPAC name of N-[1-[1-[[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide (CID 135332080) is N-[1-[1-[[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide.

What is the SMILES notation for N-[1-[1-[[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide?

The canonical SMILES for N-[1-[1-[[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide is CC(=O)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C(F)(F)F)cc3N3CCC4(CCOCC4)C3)CC2)n1.

What is the InChIKey of N-[1-[1-[[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide?

The InChIKey is SEVSXGVDGLKHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39F3N6O3/c1-22(40)34-26-5-13-39(35-26)27(41)36-15-8-29(9-16-36)6-2-12-38(29)20-23-3-4-24(30(31,32)33)19-25(23)37-14-7-28(21-37)10-17-42-18-11-28/h3-5,13,19H,2,6-12,14-18,20-21H2,1H3,(H,34,35,40).

What are the key properties of N-[1-[1-[[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide?

N-[1-[1-[[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide has a molecular weight of 588.68 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-[[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 135332080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).