N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-4-ethoxy-2,3-dihydro-1H-indole-2-carboxamide

C28H37N3O3 — CID 71070796

IUPACN-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-4-ethoxy-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCOc1cccc2c1CC(C(=O)NCC1CCN(Cc3cccc4c3OC(C)(C)C4)CC1)N2
InChIInChI=1S/C28H37N3O3/c1-4-33-25-10-6-9-23-22(25)15-24(30-23)27(32)29-17-19-11-13-31(14-12-19)18-21-8-5-7-20-16-28(2,3)34-26(20)21/h5-10,19,24,30H,4,11-18H2,1-3H3,(H,29,32)
InChIKeyGQAVQLHBGGNWQZ-UHFFFAOYSA-N
MW463.62 g/mol
LogP4.16
Rot. Bonds7

About N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-4-ethoxy-2,3-dihydro-1H-indole-2-carboxamide

N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-4-ethoxy-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 71070796) has the molecular formula C28H37N3O3 and a molecular weight of 463.62 g/mol. Its IUPAC name is N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-4-ethoxy-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-4-ethoxy-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID71070796
Molecular FormulaC28H37N3O3
Molecular Weight463.62 g/mol
Exact Mass463.28
IUPAC NameN-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-4-ethoxy-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCOc1cccc2c1CC(C(=O)NCC1CCN(Cc3cccc4c3OC(C)(C)C4)CC1)N2
InChIInChI=1S/C28H37N3O3/c1-4-33-25-10-6-9-23-22(25)15-24(30-23)27(32)29-17-19-11-13-31(14-12-19)18-21-8-5-7-20-16-28(2,3)34-26(20)21/h5-10,19,24,30H,4,11-18H2,1-3H3,(H,29,32)
InChIKeyGQAVQLHBGGNWQZ-UHFFFAOYSA-N
XLogP4.16
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.62
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 143736405
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 25057950
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-methylindole-2-carboxamide
CID 25056650
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 25056648
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 69170940
6-bromo-N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide
CID 25055332
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-6-fluoro-1H-indole-2-carboxamide
CID 25055089
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 25054580
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-2-imidazol-1-ylpropanamide
CID 69170478
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine
CID 64509514
(2Z,4E)-2-[[(E)-but-1-enyl]amino]-N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-4-methylhexa-2,4-dienamide
CID 143736411
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 25057680

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-4-ethoxy-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-4-ethoxy-2,3-dihydro-1H-indole-2-carboxamide (CID 71070796) is N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-4-ethoxy-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-4-ethoxy-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-4-ethoxy-2,3-dihydro-1H-indole-2-carboxamide is CCOc1cccc2c1CC(C(=O)NCC1CCN(Cc3cccc4c3OC(C)(C)C4)CC1)N2.
What is the InChIKey of N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-4-ethoxy-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is GQAVQLHBGGNWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O3/c1-4-33-25-10-6-9-23-22(25)15-24(30-23)27(32)29-17-19-11-13-31(14-12-19)18-21-8-5-7-20-16-28(2,3)34-26(20)21/h5-10,19,24,30H,4,11-18H2,1-3H3,(H,29,32).
What are the key properties of N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-4-ethoxy-2,3-dihydro-1H-indole-2-carboxamide?
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-4-ethoxy-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 463.62 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-4-ethoxy-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 71070796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).