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

C24H29N3O2 — CID 129055456

IUPACN-ethyl-N-[[1-(2-methoxyphenyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide
SMILESCCN(CC1CCCN(c2ccccc2OC)C1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C24H29N3O2/c1-3-26(24(28)21-15-19-10-4-5-11-20(19)25-21)16-18-9-8-14-27(17-18)22-12-6-7-13-23(22)29-2/h4-7,10-13,15,18,25H,3,8-9,14,16-17H2,1-2H3
InChIKeyRESBYTOOLUKFDE-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.56
Rot. Bonds6

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

N-ethyl-N-[[1-(2-methoxyphenyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 129055456) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-ethyl-N-[[1-(2-methoxyphenyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[1-(2-methoxyphenyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide
PubChem CID129055456
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-ethyl-N-[[1-(2-methoxyphenyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide
SMILESCCN(CC1CCCN(c2ccccc2OC)C1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C24H29N3O2/c1-3-26(24(28)21-15-19-10-4-5-11-20(19)25-21)16-18-9-8-14-27(17-18)22-12-6-7-13-23(22)29-2/h4-7,10-13,15,18,25H,3,8-9,14,16-17H2,1-2H3
InChIKeyRESBYTOOLUKFDE-UHFFFAOYSA-N
XLogP4.56
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 140931134
N-ethyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 129055459
N-[[1-(2,3-dihydro-1H-inden-1-yl)piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
CID 129055393
N-ethyl-6-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 159721704
N-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide
CID 140931168
N-ethyl-N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide
CID 129055090
N-benzyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 140931142
N-ethyl-4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 140931213
N-(cyclohexylmethyl)-5-(difluoromethoxy)-N-ethyl-1H-indole-2-carboxamide
CID 158927185
N-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
CID 140931172
N-ethyl-N-[[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1H-indole-2-carboxamide
CID 158461798
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-ethyl-N-[[1-(2-methoxyphenyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-ethyl-N-[[1-(2-methoxyphenyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide (CID 129055456) is N-ethyl-N-[[1-(2-methoxyphenyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[[1-(2-methoxyphenyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-ethyl-N-[[1-(2-methoxyphenyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide is CCN(CC1CCCN(c2ccccc2OC)C1)C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-ethyl-N-[[1-(2-methoxyphenyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
The InChIKey is RESBYTOOLUKFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-3-26(24(28)21-15-19-10-4-5-11-20(19)25-21)16-18-9-8-14-27(17-18)22-12-6-7-13-23(22)29-2/h4-7,10-13,15,18,25H,3,8-9,14,16-17H2,1-2H3.
What are the key properties of N-ethyl-N-[[1-(2-methoxyphenyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
N-ethyl-N-[[1-(2-methoxyphenyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[1-(2-methoxyphenyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 129055456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).