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

C29H35N3O2 — CID 129055636

IUPACN-[[1-[1-(1-benzofuran-2-yl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
SMILESCCN(CC1CCN(C(C)(C)Cc2cc3ccccc3o2)CC1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C29H35N3O2/c1-4-31(28(33)26-18-22-9-5-7-11-25(22)30-26)20-21-13-15-32(16-14-21)29(2,3)19-24-17-23-10-6-8-12-27(23)34-24/h5-12,17-18,21,30H,4,13-16,19-20H2,1-3H3
InChIKeyMDQPRVYFSFWZRZ-UHFFFAOYSA-N
MW457.62 g/mol
LogP6.11
Rot. Bonds7

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

N-[[1-[1-(1-benzofuran-2-yl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide (PubChem CID 129055636) has the molecular formula C29H35N3O2 and a molecular weight of 457.62 g/mol. Its IUPAC name is N-[[1-[1-(1-benzofuran-2-yl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[1-(1-benzofuran-2-yl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
PubChem CID129055636
Molecular FormulaC29H35N3O2
Molecular Weight457.62 g/mol
Exact Mass457.27
IUPAC NameN-[[1-[1-(1-benzofuran-2-yl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
SMILESCCN(CC1CCN(C(C)(C)Cc2cc3ccccc3o2)CC1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C29H35N3O2/c1-4-31(28(33)26-18-22-9-5-7-11-25(22)30-26)20-21-13-15-32(16-14-21)29(2,3)19-24-17-23-10-6-8-12-27(23)34-24/h5-12,17-18,21,30H,4,13-16,19-20H2,1-3H3
InChIKeyMDQPRVYFSFWZRZ-UHFFFAOYSA-N
XLogP6.11
TPSA52.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.62
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(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-ethyl-N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 140931134
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-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-(2-phenylethyl)piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
CID 129055670
N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide
CID 63707249
N-ethyl-N-(2-methylpropyl)-1H-indole-2-carboxamide
CID 43421005
N-(2-amino-2-oxoethyl)-N-ethyl-1H-indole-2-carboxamide
CID 103103798

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(1-benzofuran-2-yl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[[1-[1-(1-benzofuran-2-yl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide (CID 129055636) is N-[[1-[1-(1-benzofuran-2-yl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[1-[1-(1-benzofuran-2-yl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[[1-[1-(1-benzofuran-2-yl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide is CCN(CC1CCN(C(C)(C)Cc2cc3ccccc3o2)CC1)C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[[1-[1-(1-benzofuran-2-yl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide?
The InChIKey is MDQPRVYFSFWZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O2/c1-4-31(28(33)26-18-22-9-5-7-11-25(22)30-26)20-21-13-15-32(16-14-21)29(2,3)19-24-17-23-10-6-8-12-27(23)34-24/h5-12,17-18,21,30H,4,13-16,19-20H2,1-3H3.
What are the key properties of N-[[1-[1-(1-benzofuran-2-yl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide?
N-[[1-[1-(1-benzofuran-2-yl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide has a molecular weight of 457.62 g/mol, XLogP of 6.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(1-benzofuran-2-yl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 129055636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).