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

C30H32F6N2O — CID 10415155

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyl-3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclobutane-1-carboxamide
SMILESCCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(N2CCC3(C=Cc4ccccc43)[C@@H](C)C2)C1
InChIInChI=1S/C30H32F6N2O/c1-3-27(26(39)37-17-20-12-22(29(31,32)33)14-23(13-20)30(34,35)36)15-24(16-27)38-11-10-28(19(2)18-38)9-8-21-6-4-5-7-25(21)28/h4-9,12-14,19,24H,3,10-11,15-18H2,1-2H3,(H,37,39)/t19-,24?,27?,28?/m0/s1
InChIKeyRPQHCRNNHSAQQS-DUWMOLSOSA-N
MW550.59 g/mol
LogP7.21
Rot. Bonds5

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

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyl-3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclobutane-1-carboxamide (PubChem CID 10415155) has the molecular formula C30H32F6N2O and a molecular weight of 550.59 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyl-3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyl-3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclobutane-1-carboxamide
PubChem CID10415155
Molecular FormulaC30H32F6N2O
Molecular Weight550.59 g/mol
Exact Mass550.24
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyl-3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclobutane-1-carboxamide
SMILESCCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(N2CCC3(C=Cc4ccccc43)[C@@H](C)C2)C1
InChIInChI=1S/C30H32F6N2O/c1-3-27(26(39)37-17-20-12-22(29(31,32)33)14-23(13-20)30(34,35)36)15-24(16-27)38-11-10-28(19(2)18-38)9-8-21-6-4-5-7-25(21)28/h4-9,12-14,19,24H,3,10-11,15-18H2,1-2H3,(H,37,39)/t19-,24?,27?,28?/m0/s1
InChIKeyRPQHCRNNHSAQQS-DUWMOLSOSA-N
XLogP7.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.59
LogP ≤ 57.21
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-(cyclobutylmethyl)-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide
CID 10145483
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]pyrrolidine-1-carboxamide
CID 59764733
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
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
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
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
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
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

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyl-3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclobutane-1-carboxamide?
The IUPAC name of 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) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyl-3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyl-3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclobutane-1-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyl-3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclobutane-1-carboxamide is CCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(N2CCC3(C=Cc4ccccc43)[C@@H](C)C2)C1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyl-3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclobutane-1-carboxamide?
The InChIKey is RPQHCRNNHSAQQS-DUWMOLSOSA-N. The full InChI is InChI=1S/C30H32F6N2O/c1-3-27(26(39)37-17-20-12-22(29(31,32)33)14-23(13-20)30(34,35)36)15-24(16-27)38-11-10-28(19(2)18-38)9-8-21-6-4-5-7-25(21)28/h4-9,12-14,19,24H,3,10-11,15-18H2,1-2H3,(H,37,39)/t19-,24?,27?,28?/m0/s1.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyl-3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclobutane-1-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyl-3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclobutane-1-carboxamide has a molecular weight of 550.59 g/mol, XLogP of 7.21, 5 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-ethyl-3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 10415155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).