N-(3-methoxypropyl)-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-4-carboxamide

C25H33N3O4 — CID 56566838

IUPACN-(3-methoxypropyl)-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)c2ccoc2CN2c3ccccc3CC2C)CC1
InChIInChI=1S/C25H33N3O4/c1-18-16-20-6-3-4-7-22(20)28(18)17-23-21(10-15-32-23)25(30)27-12-8-19(9-13-27)24(29)26-11-5-14-31-2/h3-4,6-7,10,15,18-19H,5,8-9,11-14,16-17H2,1-2H3,(H,26,29)
InChIKeyPFMXGCZEBYURIL-UHFFFAOYSA-N
MW439.56 g/mol
LogP3.24
Rot. Bonds8

About N-(3-methoxypropyl)-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-4-carboxamide

N-(3-methoxypropyl)-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-4-carboxamide (PubChem CID 56566838) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-4-carboxamide
PubChem CID56566838
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC NameN-(3-methoxypropyl)-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)c2ccoc2CN2c3ccccc3CC2C)CC1
InChIInChI=1S/C25H33N3O4/c1-18-16-20-6-3-4-7-22(20)28(18)17-23-21(10-15-32-23)25(30)27-12-8-19(9-13-27)24(29)26-11-5-14-31-2/h3-4,6-7,10,15,18-19H,5,8-9,11-14,16-17H2,1-2H3,(H,26,29)
InChIKeyPFMXGCZEBYURIL-UHFFFAOYSA-N
XLogP3.24
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-4-carboxamide (CID 56566838) is N-(3-methoxypropyl)-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-4-carboxamide is COCCCNC(=O)C1CCN(C(=O)c2ccoc2CN2c3ccccc3CC2C)CC1.
What is the InChIKey of N-(3-methoxypropyl)-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is PFMXGCZEBYURIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-18-16-20-6-3-4-7-22(20)28(18)17-23-21(10-15-32-23)25(30)27-12-8-19(9-13-27)24(29)26-11-5-14-31-2/h3-4,6-7,10,15,18-19H,5,8-9,11-14,16-17H2,1-2H3,(H,26,29).
What are the key properties of N-(3-methoxypropyl)-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-4-carboxamide?
N-(3-methoxypropyl)-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 56566838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).