1-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-4-[3-(trifluoromethoxy)phenyl]piperazin-2-one

C21H28F3N3O2 — CID 143932707

IUPAC1-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-4-[3-(trifluoromethoxy)phenyl]piperazin-2-one
SMILESO=C1CN(c2cccc(OC(F)(F)F)c2)CCN1CCCN1CCC2(CC1)CC2
InChIInChI=1S/C21H28F3N3O2/c22-21(23,24)29-18-4-1-3-17(15-18)27-14-13-26(19(28)16-27)10-2-9-25-11-7-20(5-6-20)8-12-25/h1,3-4,15H,2,5-14,16H2
InChIKeyGRNOBBZYBDZXSL-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.50
Rot. Bonds6

About 1-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-4-[3-(trifluoromethoxy)phenyl]piperazin-2-one

1-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-4-[3-(trifluoromethoxy)phenyl]piperazin-2-one (PubChem CID 143932707) has the molecular formula C21H28F3N3O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 1-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-4-[3-(trifluoromethoxy)phenyl]piperazin-2-one.

Molecular Properties

Compound Name1-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-4-[3-(trifluoromethoxy)phenyl]piperazin-2-one
PubChem CID143932707
Molecular FormulaC21H28F3N3O2
Molecular Weight411.47 g/mol
Exact Mass411.21
IUPAC Name1-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-4-[3-(trifluoromethoxy)phenyl]piperazin-2-one
SMILESO=C1CN(c2cccc(OC(F)(F)F)c2)CCN1CCCN1CCC2(CC1)CC2
InChIInChI=1S/C21H28F3N3O2/c22-21(23,24)29-18-4-1-3-17(15-18)27-14-13-26(19(28)16-27)10-2-9-25-11-7-20(5-6-20)8-12-25/h1,3-4,15H,2,5-14,16H2
InChIKeyGRNOBBZYBDZXSL-UHFFFAOYSA-N
XLogP3.50
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-4-[3-(trifluoromethoxy)phenyl]piperazin-2-one with MolForge

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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 861149
N-(3-methoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 973150
8-{2-[4-(3-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione
CID 10317939
1-[3-(Trifluoromethoxy)phenyl]-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one
CID 45268141
N-[(3S)-1-[3-(trifluoromethoxy)phenyl]piperidin-3-yl]cyclopropanecarboxamide
CID 53316987
N-[(3S)-1-[3-(difluoromethoxy)phenyl]piperidin-3-yl]cyclopropanecarboxamide
CID 53320893
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 3243039
2-(1-Benzylpiperidin-4-yl)ethyl 4-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxylate
CID 162370352
2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-1-(4-methyl-piperidin-1-yl)-ethanone
CID 652566
1-(Cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]piperazine-2,5-dione
CID 2826366
1,4-Bis(3-methoxyphenyl)-2,5-piperazinedione
CID 2991546
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 4799626

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-4-[3-(trifluoromethoxy)phenyl]piperazin-2-one?
The IUPAC name of 1-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-4-[3-(trifluoromethoxy)phenyl]piperazin-2-one (CID 143932707) is 1-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-4-[3-(trifluoromethoxy)phenyl]piperazin-2-one.
What is the SMILES notation for 1-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-4-[3-(trifluoromethoxy)phenyl]piperazin-2-one?
The canonical SMILES for 1-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-4-[3-(trifluoromethoxy)phenyl]piperazin-2-one is O=C1CN(c2cccc(OC(F)(F)F)c2)CCN1CCCN1CCC2(CC1)CC2.
What is the InChIKey of 1-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-4-[3-(trifluoromethoxy)phenyl]piperazin-2-one?
The InChIKey is GRNOBBZYBDZXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F3N3O2/c22-21(23,24)29-18-4-1-3-17(15-18)27-14-13-26(19(28)16-27)10-2-9-25-11-7-20(5-6-20)8-12-25/h1,3-4,15H,2,5-14,16H2.
What are the key properties of 1-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-4-[3-(trifluoromethoxy)phenyl]piperazin-2-one?
1-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-4-[3-(trifluoromethoxy)phenyl]piperazin-2-one has a molecular weight of 411.47 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-4-[3-(trifluoromethoxy)phenyl]piperazin-2-one is sourced from PubChem (CID 143932707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).