(3R)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C18H24F3N3O — CID 95725925

IUPAC(3R)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCCc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCNCC2)CN1
InChIInChI=1S/C18H24F3N3O/c19-18(20,21)14-3-1-2-13(10-14)4-7-23-16(25)15-11-17(12-24-15)5-8-22-9-6-17/h1-3,10,15,22,24H,4-9,11-12H2,(H,23,25)/t15-/m1/s1
InChIKeyHEZIBBZHGGRTKZ-OAHLLOKOSA-N
MW355.40 g/mol
LogP2.10
Rot. Bonds4

About (3R)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

(3R)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95725925) has the molecular formula C18H24F3N3O and a molecular weight of 355.40 g/mol. Its IUPAC name is (3R)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95725925
Molecular FormulaC18H24F3N3O
Molecular Weight355.40 g/mol
Exact Mass355.19
IUPAC Name(3R)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCCc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCNCC2)CN1
InChIInChI=1S/C18H24F3N3O/c19-18(20,21)14-3-1-2-13(10-14)4-7-23-16(25)15-11-17(12-24-15)5-8-22-9-6-17/h1-3,10,15,22,24H,4-9,11-12H2,(H,23,25)/t15-/m1/s1
InChIKeyHEZIBBZHGGRTKZ-OAHLLOKOSA-N
XLogP2.10
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[2-[3-(3-methylbutoxy)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95708043
N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 118759854
(3R)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95724857
N-[(3-phenoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56902404
cis-(1S,3R)-3-amino-N-[2-[3-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide
CID 56918619
(3R)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95719042
(2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119679731
N-[[3-(trifluoromethyl)phenyl]methyl]azepane-2-carboxamide
CID 64562207
(3S)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95716256
(3R,4R)-4-hydroxy-1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 157016308
N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 99937074
(1S,3R,4R)-3-amino-4-hydroxy-N-[2-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 155940415

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95725925) is (3R)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is O=C(NCCc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCNCC2)CN1.
What is the InChIKey of (3R)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is HEZIBBZHGGRTKZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24F3N3O/c19-18(20,21)14-3-1-2-13(10-14)4-7-23-16(25)15-11-17(12-24-15)5-8-22-9-6-17/h1-3,10,15,22,24H,4-9,11-12H2,(H,23,25)/t15-/m1/s1.
What are the key properties of (3R)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3R)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95725925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).