N-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide

C25H29N3O2 — CID 22390806

IUPACN-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide
SMILESO=C(NC1CCN(CCCc2coc3ccccc23)CC1)N1CCc2ccccc21
InChIInChI=1S/C25H29N3O2/c29-25(28-17-11-19-6-1-3-9-23(19)28)26-21-12-15-27(16-13-21)14-5-7-20-18-30-24-10-4-2-8-22(20)24/h1-4,6,8-10,18,21H,5,7,11-17H2,(H,26,29)
InChIKeyQDAUZDKJSHSWBC-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.60
Rot. Bonds5

About N-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide

N-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide (PubChem CID 22390806) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide
PubChem CID22390806
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide
SMILESO=C(NC1CCN(CCCc2coc3ccccc23)CC1)N1CCc2ccccc21
InChIInChI=1S/C25H29N3O2/c29-25(28-17-11-19-6-1-3-9-23(19)28)26-21-12-15-27(16-13-21)14-5-7-20-18-30-24-10-4-2-8-22(20)24/h1-4,6,8-10,18,21H,5,7,11-17H2,(H,26,29)
InChIKeyQDAUZDKJSHSWBC-UHFFFAOYSA-N
XLogP4.60
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 22390802
N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 113225655
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2,3-dihydroindole-1-carboxamide
CID 24736613
N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69221349
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dihydroindole-1-carboxamide
CID 14809231
N-(1-phenylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 59710019
2-(1-benzofuran-3-yl)-N-cyclopentylacetamide
CID 110848759
2-benzo[e][1]benzofuran-1-yl-1-(2,3-dihydroindol-1-yl)ethanone
CID 933045
N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-2,3-dihydroindole-1-carboxamide
CID 10808784
2-[4-(1-benzofuran-3-ylmethyl)piperidin-1-yl]ethanamine
CID 116926610
2-(1-benzofuran-3-ylmethylamino)-N-cyclopropylacetamide
CID 80700757
5-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide
CID 24736819

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide (CID 22390806) is N-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide is O=C(NC1CCN(CCCc2coc3ccccc23)CC1)N1CCc2ccccc21.
What is the InChIKey of N-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is QDAUZDKJSHSWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c29-25(28-17-11-19-6-1-3-9-23(19)28)26-21-12-15-27(16-13-21)14-5-7-20-18-30-24-10-4-2-8-22(20)24/h1-4,6,8-10,18,21H,5,7,11-17H2,(H,26,29).
What are the key properties of N-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide?
N-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1-benzofuran-3-yl)propyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 22390806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).