N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(cyclobutylmethyl)-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide

C34H38F6N2O — CID 10145483

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(cyclobutylmethyl)-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide
SMILESC[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12
InChIInChI=1S/C34H38F6N2O/c1-22-21-42(14-13-32(22)12-9-25-7-2-3-8-29(25)32)28-10-11-31(19-28,18-23-5-4-6-23)30(43)41-20-24-15-26(33(35,36)37)17-27(16-24)34(38,39)40/h2-3,7-9,12,15-17,22-23,28H,4-6,10-11,13-14,18-21H2,1H3,(H,41,43)/t22-,28?,31?,32-/m0/s1
InChIKeyNYVVWKWXURQMLL-GYZSCYJMSA-N
MW604.68 g/mol
LogP8.38
Rot. Bonds6

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(cyclobutylmethyl)-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(cyclobutylmethyl)-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide (PubChem CID 10145483) has the molecular formula C34H38F6N2O and a molecular weight of 604.68 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(cyclobutylmethyl)-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(cyclobutylmethyl)-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide
PubChem CID10145483
Molecular FormulaC34H38F6N2O
Molecular Weight604.68 g/mol
Exact Mass604.29
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(cyclobutylmethyl)-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide
SMILESC[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12
InChIInChI=1S/C34H38F6N2O/c1-22-21-42(14-13-32(22)12-9-25-7-2-3-8-29(25)32)28-10-11-31(19-28,18-23-5-4-6-23)30(43)41-20-24-15-26(33(35,36)37)17-27(16-24)34(38,39)40/h2-3,7-9,12,15-17,22-23,28H,4-6,10-11,13-14,18-21H2,1H3,(H,41,43)/t22-,28?,31?,32-/m0/s1
InChIKeyNYVVWKWXURQMLL-GYZSCYJMSA-N
XLogP8.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.68
LogP ≤ 58.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]-1-(methylsulfanylmethyl)cyclopentane-1-carboxamide
CID 10145294
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyl-3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclobutane-1-carboxamide
CID 10415155
1-(3-aminopropyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide;difluoromethane
CID 160694398
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]pyrrolidine-1-carboxamide
CID 59764733
1-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide
CID 59049893
N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide
CID 10186789
2-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]cyclopropane-1-carboxylic acid
CID 59050040
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(cyclopropylmethyl)-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethoxymethyl)-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-methyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]-1-propylcyclopentane-1-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-phenylpiperidin-1-yl)cyclopentane-1-carboxamide
CID 161009133
1-[2-(aminomethyl)cyclopropyl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide
CID 59050031
3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1-[2-(1,2,4-triazol-4-yl)cyclopropyl]cyclopentane-1-carboxamide
CID 162548989
N-[(3,5-difluorophenyl)methyl]-1-methyl-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide
CID 10225875
(1R,3'R)-1'-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-propan-2-ylcyclopentyl]-3'-methylspiro[indene-1,4'-piperidine]
CID 59050019

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(cyclobutylmethyl)-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(cyclobutylmethyl)-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide (CID 10145483) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(cyclobutylmethyl)-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(cyclobutylmethyl)-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(cyclobutylmethyl)-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide is C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(cyclobutylmethyl)-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide?
The InChIKey is NYVVWKWXURQMLL-GYZSCYJMSA-N. The full InChI is InChI=1S/C34H38F6N2O/c1-22-21-42(14-13-32(22)12-9-25-7-2-3-8-29(25)32)28-10-11-31(19-28,18-23-5-4-6-23)30(43)41-20-24-15-26(33(35,36)37)17-27(16-24)34(38,39)40/h2-3,7-9,12,15-17,22-23,28H,4-6,10-11,13-14,18-21H2,1H3,(H,41,43)/t22-,28?,31?,32-/m0/s1.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(cyclobutylmethyl)-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(cyclobutylmethyl)-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide has a molecular weight of 604.68 g/mol, XLogP of 8.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(cyclobutylmethyl)-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 10145483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).