3-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide

C25H31N3O3 — CID 55904439

IUPAC3-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCCC(C(=O)NCCOc3ccc4c(c3)CCC4)C2)c1
InChIInChI=1S/C25H31N3O3/c1-18-5-2-9-22(15-18)27-25(30)28-13-4-8-21(17-28)24(29)26-12-14-31-23-11-10-19-6-3-7-20(19)16-23/h2,5,9-11,15-16,21H,3-4,6-8,12-14,17H2,1H3,(H,26,29)(H,27,30)
InChIKeyMGAPMGMKZCDDEI-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.92
Rot. Bonds6

About 3-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide

3-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide (PubChem CID 55904439) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 3-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
PubChem CID55904439
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name3-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCCC(C(=O)NCCOc3ccc4c(c3)CCC4)C2)c1
InChIInChI=1S/C25H31N3O3/c1-18-5-2-9-22(15-18)27-25(30)28-13-4-8-21(17-28)24(29)26-12-14-31-23-11-10-19-6-3-7-20(19)16-23/h2,5,9-11,15-16,21H,3-4,6-8,12-14,17H2,1H3,(H,26,29)(H,27,30)
InChIKeyMGAPMGMKZCDDEI-UHFFFAOYSA-N
XLogP3.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-N-[2-(4-methylphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9088747
3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119501337
(3S)-1-N-(3-propoxyphenyl)-3-N-propylpiperidine-1,3-dicarboxamide
CID 94396027
(3R)-3-N-[2-(4-ethoxyphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 8530719
1-(4-methylbenzoyl)-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide
CID 46422462
3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 47323838
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55903028
1-N-(3-methylphenyl)-3-N-[(1-phenylcyclopentyl)methyl]piperidine-1,3-dicarboxamide
CID 55910670
3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817615
3-N-[4-(difluoromethoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817620
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
3-N-[(2,3-dimethoxyphenyl)methyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55912491

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide (CID 55904439) is 3-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide is Cc1cccc(NC(=O)N2CCCC(C(=O)NCCOc3ccc4c(c3)CCC4)C2)c1.
What is the InChIKey of 3-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is MGAPMGMKZCDDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-18-5-2-9-22(15-18)27-25(30)28-13-4-8-21(17-28)24(29)26-12-14-31-23-11-10-19-6-3-7-20(19)16-23/h2,5,9-11,15-16,21H,3-4,6-8,12-14,17H2,1H3,(H,26,29)(H,27,30).
What are the key properties of 3-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
3-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 421.54 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 55904439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).