N-ethyl-N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide

C28H37N3O2 — CID 129055090

IUPACN-ethyl-N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide
SMILESCCN(CC1CCN(C(C)(C)Cc2cccc(OC)c2)CC1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C28H37N3O2/c1-5-30(27(32)26-18-23-10-6-7-12-25(23)29-26)20-21-13-15-31(16-14-21)28(2,3)19-22-9-8-11-24(17-22)33-4/h6-12,17-18,21,29H,5,13-16,19-20H2,1-4H3
InChIKeyRILXDXNTTOSVLL-UHFFFAOYSA-N
MW447.62 g/mol
LogP5.37
Rot. Bonds8

About N-ethyl-N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide

N-ethyl-N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 129055090) has the molecular formula C28H37N3O2 and a molecular weight of 447.62 g/mol. Its IUPAC name is N-ethyl-N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide
PubChem CID129055090
Molecular FormulaC28H37N3O2
Molecular Weight447.62 g/mol
Exact Mass447.29
IUPAC NameN-ethyl-N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide
SMILESCCN(CC1CCN(C(C)(C)Cc2cccc(OC)c2)CC1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C28H37N3O2/c1-5-30(27(32)26-18-23-10-6-7-12-25(23)29-26)20-21-13-15-31(16-14-21)28(2,3)19-22-9-8-11-24(17-22)33-4/h6-12,17-18,21,29H,5,13-16,19-20H2,1-4H3
InChIKeyRILXDXNTTOSVLL-UHFFFAOYSA-N
XLogP5.37
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.62
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[1-(1-benzofuran-2-yl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
CID 129055636
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-[[1-[1-(2-chloro-3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
CID 129055628
N-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
CID 140931172
N-benzyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 140931142
tert-butyl N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]carbamate
CID 129055302
N-ethyl-N-[[1-(2-methoxyphenyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 129055456
N-[(3-methoxyphenyl)methyl]-N-methyl-1H-indole-2-carboxamide
CID 29217686
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide;N-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-[[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole-2-carboxamide
CID 159953516
N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-propan-2-yl-1H-indole-2-carboxamide
CID 140931219
N-ethyl-N-[[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1H-indole-2-carboxamide
CID 158461798
N-ethyl-N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 140931134

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-ethyl-N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide (CID 129055090) is N-ethyl-N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-ethyl-N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide is CCN(CC1CCN(C(C)(C)Cc2cccc(OC)c2)CC1)C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-ethyl-N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide?
The InChIKey is RILXDXNTTOSVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O2/c1-5-30(27(32)26-18-23-10-6-7-12-25(23)29-26)20-21-13-15-31(16-14-21)28(2,3)19-22-9-8-11-24(17-22)33-4/h6-12,17-18,21,29H,5,13-16,19-20H2,1-4H3.
What are the key properties of N-ethyl-N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide?
N-ethyl-N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide has a molecular weight of 447.62 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 129055090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).