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

C24H28ClN3O — CID 140931172

IUPACN-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
SMILESCCN(CC1CCN(Cc2cccc(Cl)c2)CC1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C24H28ClN3O/c1-2-28(24(29)23-15-20-7-3-4-9-22(20)26-23)17-18-10-12-27(13-11-18)16-19-6-5-8-21(25)14-19/h3-9,14-15,18,26H,2,10-13,16-17H2,1H3
InChIKeyIHJLPSGSHHTQHX-UHFFFAOYSA-N
MW409.96 g/mol
LogP5.20
Rot. Bonds6

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

N-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide (PubChem CID 140931172) has the molecular formula C24H28ClN3O and a molecular weight of 409.96 g/mol. Its IUPAC name is N-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
PubChem CID140931172
Molecular FormulaC24H28ClN3O
Molecular Weight409.96 g/mol
Exact Mass409.19
IUPAC NameN-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
SMILESCCN(CC1CCN(Cc2cccc(Cl)c2)CC1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C24H28ClN3O/c1-2-28(24(29)23-15-20-7-3-4-9-22(20)26-23)17-18-10-12-27(13-11-18)16-19-6-5-8-21(25)14-19/h3-9,14-15,18,26H,2,10-13,16-17H2,1H3
InChIKeyIHJLPSGSHHTQHX-UHFFFAOYSA-N
XLogP5.20
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.96
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-ethyl-N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 140931134
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-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
N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
CID 129055670
N-ethyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 129055459
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide
CID 26391063
N-[[1-(2,3-dihydro-1H-inden-1-yl)piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
CID 129055393
N-ethyl-N-[[1-(2-methoxyphenyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 129055456

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide (CID 140931172) is N-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide is CCN(CC1CCN(Cc2cccc(Cl)c2)CC1)C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide?
The InChIKey is IHJLPSGSHHTQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O/c1-2-28(24(29)23-15-20-7-3-4-9-22(20)26-23)17-18-10-12-27(13-11-18)16-19-6-5-8-21(25)14-19/h3-9,14-15,18,26H,2,10-13,16-17H2,1H3.
What are the key properties of N-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide?
N-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide has a molecular weight of 409.96 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 140931172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).