4-(cyclopentanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide

C22H28F3N3O5 — CID 172884683

IUPAC4-(cyclopentanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CCCOC2(C1)CN(C(=O)C1CCCC1)CCO2
InChIInChI=1S/C22H28F3N3O5/c23-22(24,25)33-18-8-6-17(7-9-18)26-20(30)28-10-3-12-31-21(15-28)14-27(11-13-32-21)19(29)16-4-1-2-5-16/h6-9,16H,1-5,10-15H2,(H,26,30)
InChIKeyFQXIDIHPDVDDKS-UHFFFAOYSA-N
MW471.48 g/mol
LogP3.58
Rot. Bonds3

About 4-(cyclopentanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide

4-(cyclopentanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide (PubChem CID 172884683) has the molecular formula C22H28F3N3O5 and a molecular weight of 471.48 g/mol. Its IUPAC name is 4-(cyclopentanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide.

Molecular Properties

Compound Name4-(cyclopentanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide
PubChem CID172884683
Molecular FormulaC22H28F3N3O5
Molecular Weight471.48 g/mol
Exact Mass471.20
IUPAC Name4-(cyclopentanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CCCOC2(C1)CN(C(=O)C1CCCC1)CCO2
InChIInChI=1S/C22H28F3N3O5/c23-22(24,25)33-18-8-6-17(7-9-18)26-20(30)28-10-3-12-31-21(15-28)14-27(11-13-32-21)19(29)16-4-1-2-5-16/h6-9,16H,1-5,10-15H2,(H,26,30)
InChIKeyFQXIDIHPDVDDKS-UHFFFAOYSA-N
XLogP3.58
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-methoxyphenyl)-8-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide
CID 172884750
N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651
cyclopentyl-[8-(cyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 172884690
3-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 24748652
(3S)-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 107224975
N-propan-2-yl-10-[4-(trifluoromethoxy)benzoyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide
CID 171318256
4-N-(2-fluorophenyl)-8-N-(4-fluorophenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide
CID 172884801
9-(5-cyclopropyl-1H-pyrazole-4-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 71679671
(3S,5R)-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 51944394
1-[1-(oxane-4-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 118395974
2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 74244699
(2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide
CID 51427241

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide?
The IUPAC name of 4-(cyclopentanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide (CID 172884683) is 4-(cyclopentanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide.
What is the SMILES notation for 4-(cyclopentanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide?
The canonical SMILES for 4-(cyclopentanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCCOC2(C1)CN(C(=O)C1CCCC1)CCO2.
What is the InChIKey of 4-(cyclopentanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide?
The InChIKey is FQXIDIHPDVDDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N3O5/c23-22(24,25)33-18-8-6-17(7-9-18)26-20(30)28-10-3-12-31-21(15-28)14-27(11-13-32-21)19(29)16-4-1-2-5-16/h6-9,16H,1-5,10-15H2,(H,26,30).
What are the key properties of 4-(cyclopentanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide?
4-(cyclopentanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide has a molecular weight of 471.48 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide is sourced from PubChem (CID 172884683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).