(3S)-3-phenoxazin-10-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

C25H22F3N3O3 — CID 166667248

IUPAC(3S)-3-phenoxazin-10-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC[C@H](N2c3ccccc3Oc3ccccc32)C1
InChIInChI=1S/C25H22F3N3O3/c26-25(27,28)34-19-13-11-17(12-14-19)29-24(32)30-15-5-6-18(16-30)31-20-7-1-3-9-22(20)33-23-10-4-2-8-21(23)31/h1-4,7-14,18H,5-6,15-16H2,(H,29,32)/t18-/m0/s1
InChIKeyMZEJWLZRLBIDIW-SFHVURJKSA-N
MW469.46 g/mol
LogP6.53
Rot. Bonds3

About (3S)-3-phenoxazin-10-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

(3S)-3-phenoxazin-10-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (PubChem CID 166667248) has the molecular formula C25H22F3N3O3 and a molecular weight of 469.46 g/mol. Its IUPAC name is (3S)-3-phenoxazin-10-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-phenoxazin-10-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
PubChem CID166667248
Molecular FormulaC25H22F3N3O3
Molecular Weight469.46 g/mol
Exact Mass469.16
IUPAC Name(3S)-3-phenoxazin-10-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC[C@H](N2c3ccccc3Oc3ccccc32)C1
InChIInChI=1S/C25H22F3N3O3/c26-25(27,28)34-19-13-11-17(12-14-19)29-24(32)30-15-5-6-18(16-30)31-20-7-1-3-9-22(20)33-23-10-4-2-8-21(23)31/h1-4,7-14,18H,5-6,15-16H2,(H,29,32)/t18-/m0/s1
InChIKeyMZEJWLZRLBIDIW-SFHVURJKSA-N
XLogP6.53
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.46
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 107224975
3-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 24748652
N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651
(3S,4R,5R)-4-hydroxy-3-phenoxazin-10-yl-N-phenyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxamide
CID 155084025
(3S,5R)-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 51944394
(2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide
CID 51427241
(3S)-3-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 104976383
4-benzhydryl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 2822264
4-(cyclopentanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide
CID 172884683
1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122085523
2-oxo-N-[4-(trifluoromethoxy)phenyl]-3H-indole-1-carboxamide
CID 118444181
8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[5.5]undecane-2-carboxamide
CID 71679837

Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenoxazin-10-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-phenoxazin-10-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (CID 166667248) is (3S)-3-phenoxazin-10-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-phenoxazin-10-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-phenoxazin-10-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC[C@H](N2c3ccccc3Oc3ccccc32)C1.
What is the InChIKey of (3S)-3-phenoxazin-10-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The InChIKey is MZEJWLZRLBIDIW-SFHVURJKSA-N. The full InChI is InChI=1S/C25H22F3N3O3/c26-25(27,28)34-19-13-11-17(12-14-19)29-24(32)30-15-5-6-18(16-30)31-20-7-1-3-9-22(20)33-23-10-4-2-8-21(23)31/h1-4,7-14,18H,5-6,15-16H2,(H,29,32)/t18-/m0/s1.
What are the key properties of (3S)-3-phenoxazin-10-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
(3S)-3-phenoxazin-10-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide has a molecular weight of 469.46 g/mol, XLogP of 6.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenoxazin-10-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 166667248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).