N-[[1-[1-[(3-fluorophenyl)methyl]cyclopropyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide

C27H29F4N3O — CID 142459376

IUPACN-[[1-[1-[(3-fluorophenyl)methyl]cyclopropyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
SMILESO=C(c1cc2ccccc2[nH]1)N(CC1CCN(C2(Cc3cccc(F)c3)CC2)CC1)CC(F)(F)F
InChIInChI=1S/C27H29F4N3O/c28-22-6-3-4-20(14-22)16-26(10-11-26)34-12-8-19(9-13-34)17-33(18-27(29,30)31)25(35)24-15-21-5-1-2-7-23(21)32-24/h1-7,14-15,19,32H,8-13,16-18H2
InChIKeyHHQYOYAOWNADQU-UHFFFAOYSA-N
MW487.54 g/mol
LogP5.80
Rot. Bonds7

About N-[[1-[1-[(3-fluorophenyl)methyl]cyclopropyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide

N-[[1-[1-[(3-fluorophenyl)methyl]cyclopropyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide (PubChem CID 142459376) has the molecular formula C27H29F4N3O and a molecular weight of 487.54 g/mol. Its IUPAC name is N-[[1-[1-[(3-fluorophenyl)methyl]cyclopropyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[1-[(3-fluorophenyl)methyl]cyclopropyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
PubChem CID142459376
Molecular FormulaC27H29F4N3O
Molecular Weight487.54 g/mol
Exact Mass487.22
IUPAC NameN-[[1-[1-[(3-fluorophenyl)methyl]cyclopropyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
SMILESO=C(c1cc2ccccc2[nH]1)N(CC1CCN(C2(Cc3cccc(F)c3)CC2)CC1)CC(F)(F)F
InChIInChI=1S/C27H29F4N3O/c28-22-6-3-4-20(14-22)16-26(10-11-26)34-12-8-19(9-13-34)17-33(18-27(29,30)31)25(35)24-15-21-5-1-2-7-23(21)32-24/h1-7,14-15,19,32H,8-13,16-18H2
InChIKeyHHQYOYAOWNADQU-UHFFFAOYSA-N
XLogP5.80
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.54
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
CID 129055670
tert-butyl 3-[[1H-indole-2-carbonyl(2,2,2-trifluoroethyl)amino]methyl]piperidine-1-carboxylate
CID 142459395
N-ethyl-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 51190000
[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 53037950
N-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
CID 140931172
N-ethyl-N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide
CID 129055090
N-[[1-[1-(2-chloro-3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
CID 129055628
N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 142459396
N-ethyl-N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 140931134
N-methyl-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide
CID 159882608
N-[(1-benzylpiperidin-4-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide
CID 129055481
N-[[1-[1-(1-benzofuran-2-yl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
CID 129055636

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-[(3-fluorophenyl)methyl]cyclopropyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide?
The IUPAC name of N-[[1-[1-[(3-fluorophenyl)methyl]cyclopropyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide (CID 142459376) is N-[[1-[1-[(3-fluorophenyl)methyl]cyclopropyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[1-[1-[(3-fluorophenyl)methyl]cyclopropyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-[[1-[1-[(3-fluorophenyl)methyl]cyclopropyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide is O=C(c1cc2ccccc2[nH]1)N(CC1CCN(C2(Cc3cccc(F)c3)CC2)CC1)CC(F)(F)F.
What is the InChIKey of N-[[1-[1-[(3-fluorophenyl)methyl]cyclopropyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide?
The InChIKey is HHQYOYAOWNADQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F4N3O/c28-22-6-3-4-20(14-22)16-26(10-11-26)34-12-8-19(9-13-34)17-33(18-27(29,30)31)25(35)24-15-21-5-1-2-7-23(21)32-24/h1-7,14-15,19,32H,8-13,16-18H2.
What are the key properties of N-[[1-[1-[(3-fluorophenyl)methyl]cyclopropyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide?
N-[[1-[1-[(3-fluorophenyl)methyl]cyclopropyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide has a molecular weight of 487.54 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-[(3-fluorophenyl)methyl]cyclopropyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 142459376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).