N-butyl-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-3-carboxamide

C25H33N3O3 — CID 56566015

IUPACN-butyl-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(C(=O)c2ccoc2CN2c3ccccc3CC2C)C1
InChIInChI=1S/C25H33N3O3/c1-3-4-12-26-24(29)20-9-7-13-27(16-20)25(30)21-11-14-31-23(21)17-28-18(2)15-19-8-5-6-10-22(19)28/h5-6,8,10-11,14,18,20H,3-4,7,9,12-13,15-17H2,1-2H3,(H,26,29)
InChIKeyBIAJNKCDEPVHPM-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.00
Rot. Bonds7

About N-butyl-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-3-carboxamide

N-butyl-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-3-carboxamide (PubChem CID 56566015) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-butyl-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-3-carboxamide
PubChem CID56566015
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-butyl-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(C(=O)c2ccoc2CN2c3ccccc3CC2C)C1
InChIInChI=1S/C25H33N3O3/c1-3-4-12-26-24(29)20-9-7-13-27(16-20)25(30)21-11-14-31-23(21)17-28-18(2)15-19-8-5-6-10-22(19)28/h5-6,8,10-11,14,18,20H,3-4,7,9,12-13,15-17H2,1-2H3,(H,26,29)
InChIKeyBIAJNKCDEPVHPM-UHFFFAOYSA-N
XLogP4.00
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-3-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-3-carboxamide
CID 56566982
N-(3-methoxypropyl)-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-4-carboxamide
CID 56566838
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-pentylfuran-3-carboxamide
CID 56562145
[3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]methanone;dihydrochloride
CID 119594137
3,4-dihydro-1H-isoquinolin-2-yl-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]methanone
CID 56559589
N-[1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide
CID 56567319
[4-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperazin-1-yl]-phenylmethanone
CID 56564571
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-methylpentyl)furan-3-carboxamide
CID 56567369
(3S)-1-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid
CID 120514103
1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 56562758
3-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 60599643
methyl 3-[[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-3-carbonyl]amino]propanoate
CID 95274797

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-3-carboxamide?
The IUPAC name of N-butyl-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-3-carboxamide (CID 56566015) is N-butyl-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for N-butyl-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-3-carboxamide is CCCCNC(=O)C1CCCN(C(=O)c2ccoc2CN2c3ccccc3CC2C)C1.
What is the InChIKey of N-butyl-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-3-carboxamide?
The InChIKey is BIAJNKCDEPVHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-3-4-12-26-24(29)20-9-7-13-27(16-20)25(30)21-11-14-31-23(21)17-28-18(2)15-19-8-5-6-10-22(19)28/h5-6,8,10-11,14,18,20H,3-4,7,9,12-13,15-17H2,1-2H3,(H,26,29).
What are the key properties of N-butyl-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-3-carboxamide?
N-butyl-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-3-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 56566015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).