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

C26H31N3O — CID 129055393

IUPACN-[[1-(2,3-dihydro-1H-inden-1-yl)piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
SMILESCCN(CC1CCCN(C2CCc3ccccc32)C1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C26H31N3O/c1-2-28(26(30)24-16-21-10-4-6-12-23(21)27-24)17-19-8-7-15-29(18-19)25-14-13-20-9-3-5-11-22(20)25/h3-6,9-12,16,19,25,27H,2,7-8,13-15,17-18H2,1H3
InChIKeyDIMJAHRSSDSUMO-UHFFFAOYSA-N
MW401.55 g/mol
LogP5.03
Rot. Bonds5

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

N-[[1-(2,3-dihydro-1H-inden-1-yl)piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide (PubChem CID 129055393) has the molecular formula C26H31N3O and a molecular weight of 401.55 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-1-yl)piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-1-yl)piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
PubChem CID129055393
Molecular FormulaC26H31N3O
Molecular Weight401.55 g/mol
Exact Mass401.25
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-1-yl)piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
SMILESCCN(CC1CCCN(C2CCc3ccccc32)C1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C26H31N3O/c1-2-28(26(30)24-16-21-10-4-6-12-23(21)27-24)17-19-8-7-15-29(18-19)25-14-13-20-9-3-5-11-22(20)25/h3-6,9-12,16,19,25,27H,2,7-8,13-15,17-18H2,1H3
InChIKeyDIMJAHRSSDSUMO-UHFFFAOYSA-N
XLogP5.03
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-(2,3-dihydro-1H-inden-1-yl)piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide with MolForge

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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-ethyl-N-[[1-(2-methoxyphenyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 129055456
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
tert-butyl 3-[[1H-indole-2-carbonyl(2,2,2-trifluoroethyl)amino]methyl]piperidine-1-carboxylate
CID 142459395
N-[3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 155076790
N-ethyl-N-[[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-7-fluoro-1H-indole-2-carboxamide
CID 159721703
N-ethyl-6-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 159721704
(2S)-N,N-diethyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 95196207
N-ethyl-N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide
CID 129055090

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1H-inden-1-yl)piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-1-yl)piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide (CID 129055393) is N-[[1-(2,3-dihydro-1H-inden-1-yl)piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-1-yl)piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-1-yl)piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide is CCN(CC1CCCN(C2CCc3ccccc32)C1)C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-1-yl)piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide?
The InChIKey is DIMJAHRSSDSUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O/c1-2-28(26(30)24-16-21-10-4-6-12-23(21)27-24)17-19-8-7-15-29(18-19)25-14-13-20-9-3-5-11-22(20)25/h3-6,9-12,16,19,25,27H,2,7-8,13-15,17-18H2,1H3.
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-1-yl)piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide?
N-[[1-(2,3-dihydro-1H-inden-1-yl)piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide has a molecular weight of 401.55 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1H-inden-1-yl)piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 129055393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).