(4R,5R)-4-methoxy-N-[3-(trifluoromethyl)phenyl]-7-azaspiro[4.5]decane-7-carboxamide

C18H23F3N2O2 — CID 135102269

IUPAC(4R,5R)-4-methoxy-N-[3-(trifluoromethyl)phenyl]-7-azaspiro[4.5]decane-7-carboxamide
SMILESCO[C@@H]1CCC[C@]12CCCN(C(=O)Nc1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C18H23F3N2O2/c1-25-15-7-3-8-17(15)9-4-10-23(12-17)16(24)22-14-6-2-5-13(11-14)18(19,20)21/h2,5-6,11,15H,3-4,7-10,12H2,1H3,(H,22,24)/t15-,17-/m1/s1
InChIKeyBSNSIYYMGPCVPO-NVXWUHKLSA-N
MW356.39 g/mol
LogP4.52
Rot. Bonds2

About (4R,5R)-4-methoxy-N-[3-(trifluoromethyl)phenyl]-7-azaspiro[4.5]decane-7-carboxamide

(4R,5R)-4-methoxy-N-[3-(trifluoromethyl)phenyl]-7-azaspiro[4.5]decane-7-carboxamide (PubChem CID 135102269) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is (4R,5R)-4-methoxy-N-[3-(trifluoromethyl)phenyl]-7-azaspiro[4.5]decane-7-carboxamide.

Molecular Properties

Compound Name(4R,5R)-4-methoxy-N-[3-(trifluoromethyl)phenyl]-7-azaspiro[4.5]decane-7-carboxamide
PubChem CID135102269
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC Name(4R,5R)-4-methoxy-N-[3-(trifluoromethyl)phenyl]-7-azaspiro[4.5]decane-7-carboxamide
SMILESCO[C@@H]1CCC[C@]12CCCN(C(=O)Nc1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C18H23F3N2O2/c1-25-15-7-3-8-17(15)9-4-10-23(12-17)16(24)22-14-6-2-5-13(11-14)18(19,20)21/h2,5-6,11,15H,3-4,7-10,12H2,1H3,(H,22,24)/t15-,17-/m1/s1
InChIKeyBSNSIYYMGPCVPO-NVXWUHKLSA-N
XLogP4.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 62536564
3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 45217063
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 162535440
1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
CID 5297464
(2S)-2-(methoxymethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 97277081
2-(methoxymethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 72887597
2-methyl-N-[3-(trifluoromethyl)phenyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide
CID 135100517
3-acetamido-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 72862706
(5R)-N-[3-(trifluoromethyl)phenyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
CID 99822435
ethyl 4-[[3-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 3784054
4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide
CID 7165092

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-methoxy-N-[3-(trifluoromethyl)phenyl]-7-azaspiro[4.5]decane-7-carboxamide?
The IUPAC name of (4R,5R)-4-methoxy-N-[3-(trifluoromethyl)phenyl]-7-azaspiro[4.5]decane-7-carboxamide (CID 135102269) is (4R,5R)-4-methoxy-N-[3-(trifluoromethyl)phenyl]-7-azaspiro[4.5]decane-7-carboxamide.
What is the SMILES notation for (4R,5R)-4-methoxy-N-[3-(trifluoromethyl)phenyl]-7-azaspiro[4.5]decane-7-carboxamide?
The canonical SMILES for (4R,5R)-4-methoxy-N-[3-(trifluoromethyl)phenyl]-7-azaspiro[4.5]decane-7-carboxamide is CO[C@@H]1CCC[C@]12CCCN(C(=O)Nc1cccc(C(F)(F)F)c1)C2.
What is the InChIKey of (4R,5R)-4-methoxy-N-[3-(trifluoromethyl)phenyl]-7-azaspiro[4.5]decane-7-carboxamide?
The InChIKey is BSNSIYYMGPCVPO-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H23F3N2O2/c1-25-15-7-3-8-17(15)9-4-10-23(12-17)16(24)22-14-6-2-5-13(11-14)18(19,20)21/h2,5-6,11,15H,3-4,7-10,12H2,1H3,(H,22,24)/t15-,17-/m1/s1.
What are the key properties of (4R,5R)-4-methoxy-N-[3-(trifluoromethyl)phenyl]-7-azaspiro[4.5]decane-7-carboxamide?
(4R,5R)-4-methoxy-N-[3-(trifluoromethyl)phenyl]-7-azaspiro[4.5]decane-7-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-methoxy-N-[3-(trifluoromethyl)phenyl]-7-azaspiro[4.5]decane-7-carboxamide is sourced from PubChem (CID 135102269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).