N-[2-(ethylaminomethyl)cyclopentyl]-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide

C24H30F3N5O — CID 170260323

IUPACN-[2-(ethylaminomethyl)cyclopentyl]-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide
SMILESCCNCC1CCCC1NC(=O)C1CN(c2ccc(C(F)(F)F)c3nccnc23)CC12CC2
InChIInChI=1S/C24H30F3N5O/c1-2-28-12-15-4-3-5-18(15)31-22(33)17-13-32(14-23(17)8-9-23)19-7-6-16(24(25,26)27)20-21(19)30-11-10-29-20/h6-7,10-11,15,17-18,28H,2-5,8-9,12-14H2,1H3,(H,31,33)
InChIKeyKNJHFEAFUALRCR-UHFFFAOYSA-N
MW461.53 g/mol
LogP3.76
Rot. Bonds6

About N-[2-(ethylaminomethyl)cyclopentyl]-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide

N-[2-(ethylaminomethyl)cyclopentyl]-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide (PubChem CID 170260323) has the molecular formula C24H30F3N5O and a molecular weight of 461.53 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)cyclopentyl]-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)cyclopentyl]-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide
PubChem CID170260323
Molecular FormulaC24H30F3N5O
Molecular Weight461.53 g/mol
Exact Mass461.24
IUPAC NameN-[2-(ethylaminomethyl)cyclopentyl]-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide
SMILESCCNCC1CCCC1NC(=O)C1CN(c2ccc(C(F)(F)F)c3nccnc23)CC12CC2
InChIInChI=1S/C24H30F3N5O/c1-2-28-12-15-4-3-5-18(15)31-22(33)17-13-32(14-23(17)8-9-23)19-7-6-16(24(25,26)27)20-21(19)30-11-10-29-20/h6-7,10-11,15,17-18,28H,2-5,8-9,12-14H2,1H3,(H,31,33)
InChIKeyKNJHFEAFUALRCR-UHFFFAOYSA-N
XLogP3.76
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,3R)-3-aminocyclohexyl]-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide
CID 146440658
N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide
CID 146440447
[(5R)-5-methoxycarbonylpyrrolidin-3-yl]-methylidene-[5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carbonyl]azanium
CID 170260463
(7R)-5-(8-cyanoquinoxalin-5-yl)-N-(1-methylpiperidin-4-yl)-5-azaspiro[2.4]heptane-7-carboxamide
CID 146424788
2-(1-methylpiperidin-4-yl)acetic acid;2-(1-methylpiperidin-4-yl)-N-[(3R,4R)-4-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]pyrrolidin-3-yl]acetamide;(3R,4R)-4-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]pyrrolidin-3-amine
CID 161053311
5-(8-cyanoquinoxalin-5-yl)-N-[[(2S)-morpholin-2-yl]methyl]-5-azaspiro[2.4]heptane-7-carboxamide
CID 146440460
2-(3-hydroxyazetidin-1-yl)-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]acetamide
CID 129240993
tert-butyl N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]carbamate
CID 129240611
5-[[[5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]amino]methyl]pyrrolidin-2-one
CID 146329253
2-(4-fluoropiperidin-4-yl)-N-[1-[4-methyl-8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide
CID 137424887
N-methyl-2-[2-(trifluoromethyl)benzoyl]-2-azaspiro[4.4]nonane-4-carboxamide
CID 71836675
3-[[(4S)-4-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]pyrrolidin-3-yl]methyl]-3,9-diazaspiro[5.5]undecane
CID 166711646

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)cyclopentyl]-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide?
The IUPAC name of N-[2-(ethylaminomethyl)cyclopentyl]-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide (CID 170260323) is N-[2-(ethylaminomethyl)cyclopentyl]-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)cyclopentyl]-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide?
The canonical SMILES for N-[2-(ethylaminomethyl)cyclopentyl]-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide is CCNCC1CCCC1NC(=O)C1CN(c2ccc(C(F)(F)F)c3nccnc23)CC12CC2.
What is the InChIKey of N-[2-(ethylaminomethyl)cyclopentyl]-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide?
The InChIKey is KNJHFEAFUALRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N5O/c1-2-28-12-15-4-3-5-18(15)31-22(33)17-13-32(14-23(17)8-9-23)19-7-6-16(24(25,26)27)20-21(19)30-11-10-29-20/h6-7,10-11,15,17-18,28H,2-5,8-9,12-14H2,1H3,(H,31,33).
What are the key properties of N-[2-(ethylaminomethyl)cyclopentyl]-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide?
N-[2-(ethylaminomethyl)cyclopentyl]-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide has a molecular weight of 461.53 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)cyclopentyl]-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide is sourced from PubChem (CID 170260323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).