1,1'-dimethyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide

C23H29N3O2 — CID 134805058

IUPAC1,1'-dimethyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide
SMILESCN1CCCC2(C1)CN(C)c1ccc(C(=O)NCCOc3ccccc3)cc12
InChIInChI=1S/C23H29N3O2/c1-25-13-6-11-23(16-25)17-26(2)21-10-9-18(15-20(21)23)22(27)24-12-14-28-19-7-4-3-5-8-19/h3-5,7-10,15H,6,11-14,16-17H2,1-2H3,(H,24,27)
InChIKeyBDSWSRZESNZFTJ-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.91
Rot. Bonds5

About 1,1'-dimethyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide

1,1'-dimethyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide (PubChem CID 134805058) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1,1'-dimethyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide.

Molecular Properties

Compound Name1,1'-dimethyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide
PubChem CID134805058
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1,1'-dimethyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide
SMILESCN1CCCC2(C1)CN(C)c1ccc(C(=O)NCCOc3ccccc3)cc12
InChIInChI=1S/C23H29N3O2/c1-25-13-6-11-23(16-25)17-26(2)21-10-9-18(15-20(21)23)22(27)24-12-14-28-19-7-4-3-5-8-19/h3-5,7-10,15H,6,11-14,16-17H2,1-2H3,(H,24,27)
InChIKeyBDSWSRZESNZFTJ-UHFFFAOYSA-N
XLogP2.91
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1'-(2-methoxyethyl)-1-methyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide
CID 134806758
1,1'-dimethyl-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide
CID 134806768
1'-(2-methoxyethyl)-1-methyl-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide
CID 134808150
6-methoxy-N-(2-phenoxyethyl)naphthalene-2-carboxamide
CID 5302937
4-methoxy-3-methyl-N-(2-phenoxyethyl)benzamide
CID 100543454
2-(2-methoxyacetyl)-N-(2-phenoxyethyl)-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-14-carboxamide
CID 155995270
(5R)-3-methyl-2-oxo-N-(2-phenoxyethyl)-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 126424841
N-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide
CID 9022506
4-(2-oxopiperidin-1-yl)-N-(2-phenoxyethyl)benzamide
CID 32934030
3-morpholin-4-yl-N-(2-phenoxyethyl)benzamide
CID 117088247
2-oxo-N-(2-phenoxyethyl)-1H-pyridine-4-carboxamide
CID 103762674
N-(2-methoxyethyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 99969655

Frequently Asked Questions

What is the IUPAC name of 1,1'-dimethyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide?
The IUPAC name of 1,1'-dimethyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide (CID 134805058) is 1,1'-dimethyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide.
What is the SMILES notation for 1,1'-dimethyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide?
The canonical SMILES for 1,1'-dimethyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide is CN1CCCC2(C1)CN(C)c1ccc(C(=O)NCCOc3ccccc3)cc12.
What is the InChIKey of 1,1'-dimethyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide?
The InChIKey is BDSWSRZESNZFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-25-13-6-11-23(16-25)17-26(2)21-10-9-18(15-20(21)23)22(27)24-12-14-28-19-7-4-3-5-8-19/h3-5,7-10,15H,6,11-14,16-17H2,1-2H3,(H,24,27).
What are the key properties of 1,1'-dimethyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide?
1,1'-dimethyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-dimethyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide is sourced from PubChem (CID 134805058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).