N-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide;hydrochloride

C23H30ClF3N2O — CID 122641242

IUPACN-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide;hydrochloride
SMILESCC/C(=C\c1ccccc1)C1CC1N(C(=O)C(F)(F)F)C1CC2(CCNCC2)C1.Cl
InChIInChI=1S/C23H29F3N2O.ClH/c1-2-17(12-16-6-4-3-5-7-16)19-13-20(19)28(21(29)23(24,25)26)18-14-22(15-18)8-10-27-11-9-22;/h3-7,12,18-20,27H,2,8-11,13-15H2,1H3;1H/b17-12+;
InChIKeyQJYFIUGGPAGSGP-KCUXUEJTSA-N
MW442.95 g/mol
LogP5.21
Rot. Bonds5

About N-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide;hydrochloride

N-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide;hydrochloride (PubChem CID 122641242) has the molecular formula C23H30ClF3N2O and a molecular weight of 442.95 g/mol. Its IUPAC name is N-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide;hydrochloride
PubChem CID122641242
Molecular FormulaC23H30ClF3N2O
Molecular Weight442.95 g/mol
Exact Mass442.20
IUPAC NameN-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide;hydrochloride
SMILESCC/C(=C\c1ccccc1)C1CC1N(C(=O)C(F)(F)F)C1CC2(CCNCC2)C1.Cl
InChIInChI=1S/C23H29F3N2O.ClH/c1-2-17(12-16-6-4-3-5-7-16)19-13-20(19)28(21(29)23(24,25)26)18-14-22(15-18)8-10-27-11-9-22;/h3-7,12,18-20,27H,2,8-11,13-15H2,1H3;1H/b17-12+;
InChIKeyQJYFIUGGPAGSGP-KCUXUEJTSA-N
XLogP5.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.95
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide;hydrochloride with MolForge

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Related Compounds

N-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]acetamide
CID 122649219
3-Chloro-3-methyl-1-trifluoromethyl-cyclobutanecarboxylic acid (1-methyl-3-phenyl-propyl)-amide
CID 44318393
(R)-1-(4-(1-amino-2-(2,5-difluorophenyl)ethyl)piperidin-1-yl)ethanone
CID 53317581
N-[4-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl]cyclohexyl]acetamide
CID 70696189
1-[6-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]ethanone
CID 156017190
US10233152, Example 36
CID 129279870
US10300051, Example 1
CID 118290246
Propionamide, N-(alpha-methyl-m-trifluoromethylphenethyl)-3-piperidino-
CID 3056719
N-cyclopropyl-3-{1-[3-(3,4-difluorophenyl)propanoyl]-3-piperidinyl}propanamide
CID 45235405
1-[4-[2-[1-(4-Fluorophenyl)propan-2-ylamino]ethyl]piperidin-1-yl]ethanone
CID 84589062
1-[4-[2-(4-Fluorophenyl)ethylamino]piperidin-1-yl]ethanone
CID 23903761
N-(4,4-dimethyl-6-methylidene-8-phenyloctyl)-2,2,2-trifluoroacetamide
CID 162407665

Frequently Asked Questions

What is the IUPAC name of N-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide;hydrochloride?
The IUPAC name of N-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide;hydrochloride (CID 122641242) is N-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide;hydrochloride.
What is the SMILES notation for N-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide;hydrochloride?
The canonical SMILES for N-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide;hydrochloride is CC/C(=C\c1ccccc1)C1CC1N(C(=O)C(F)(F)F)C1CC2(CCNCC2)C1.Cl.
What is the InChIKey of N-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide;hydrochloride?
The InChIKey is QJYFIUGGPAGSGP-KCUXUEJTSA-N. The full InChI is InChI=1S/C23H29F3N2O.ClH/c1-2-17(12-16-6-4-3-5-7-16)19-13-20(19)28(21(29)23(24,25)26)18-14-22(15-18)8-10-27-11-9-22;/h3-7,12,18-20,27H,2,8-11,13-15H2,1H3;1H/b17-12+;.
What are the key properties of N-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide;hydrochloride?
N-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide;hydrochloride has a molecular weight of 442.95 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-azaspiro[3.5]nonan-2-yl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide;hydrochloride is sourced from PubChem (CID 122641242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).