N-[3-(trifluoromethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide

C21H21F3N2O2 — CID 90565791

IUPACN-[3-(trifluoromethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCC2(CCc3ccccc3O2)CC1
InChIInChI=1S/C21H21F3N2O2/c22-21(23,24)16-5-3-6-17(14-16)25-19(27)26-12-10-20(11-13-26)9-8-15-4-1-2-7-18(15)28-20/h1-7,14H,8-13H2,(H,25,27)
InChIKeySFQYLEZHYPLKDD-UHFFFAOYSA-N
MW390.41 g/mol
LogP5.10
Rot. Bonds1

About N-[3-(trifluoromethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide

N-[3-(trifluoromethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide (PubChem CID 90565791) has the molecular formula C21H21F3N2O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
PubChem CID90565791
Molecular FormulaC21H21F3N2O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC NameN-[3-(trifluoromethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCC2(CCc3ccccc3O2)CC1
InChIInChI=1S/C21H21F3N2O2/c22-21(23,24)16-5-3-6-17(14-16)25-19(27)26-12-10-20(11-13-26)9-8-15-4-1-2-7-18(15)28-20/h1-7,14H,8-13H2,(H,25,27)
InChIKeySFQYLEZHYPLKDD-UHFFFAOYSA-N
XLogP5.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.41
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 138386808
N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 22614394
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 894781
(5R)-N-[3-(trifluoromethyl)phenyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
CID 99822435
N-[3-(trifluoromethyl)phenyl]spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 46357458
N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 162535440
4-benzo[b][1,4]benzoxazepin-6-yl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 42689129
4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide
CID 7165092
4-(4-hydroxyphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 4129039
ethyl 4-[[3-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 3784054
1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 108977296

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide (CID 90565791) is N-[3-(trifluoromethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)N1CCC2(CCc3ccccc3O2)CC1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The InChIKey is SFQYLEZHYPLKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O2/c22-21(23,24)16-5-3-6-17(14-16)25-19(27)26-12-10-20(11-13-26)9-8-15-4-1-2-7-18(15)28-20/h1-7,14H,8-13H2,(H,25,27).
What are the key properties of N-[3-(trifluoromethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
N-[3-(trifluoromethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide has a molecular weight of 390.41 g/mol, XLogP of 5.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 90565791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).