N-(2-oxo-2-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethyl)-2,2-diphenylacetamide

C31H32N4O2 — CID 42695534

IUPACN-(2-oxo-2-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethyl)-2,2-diphenylacetamide
SMILESO=C(NCC(=O)N1CCC2(CC1)NCCc1c2[nH]c2ccccc12)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H32N4O2/c36-27(21-32-30(37)28(22-9-3-1-4-10-22)23-11-5-2-6-12-23)35-19-16-31(17-20-35)29-25(15-18-33-31)24-13-7-8-14-26(24)34-29/h1-14,28,33-34H,15-21H2,(H,32,37)
InChIKeyGWLHBCIFYDRCEJ-UHFFFAOYSA-N
MW492.62 g/mol
LogP4.08
Rot. Bonds5

About N-(2-oxo-2-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethyl)-2,2-diphenylacetamide

N-(2-oxo-2-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethyl)-2,2-diphenylacetamide (PubChem CID 42695534) has the molecular formula C31H32N4O2 and a molecular weight of 492.62 g/mol. Its IUPAC name is N-(2-oxo-2-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethyl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(2-oxo-2-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethyl)-2,2-diphenylacetamide
PubChem CID42695534
Molecular FormulaC31H32N4O2
Molecular Weight492.62 g/mol
Exact Mass492.25
IUPAC NameN-(2-oxo-2-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethyl)-2,2-diphenylacetamide
SMILESO=C(NCC(=O)N1CCC2(CC1)NCCc1c2[nH]c2ccccc12)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H32N4O2/c36-27(21-32-30(37)28(22-9-3-1-4-10-22)23-11-5-2-6-12-23)35-19-16-31(17-20-35)29-25(15-18-33-31)24-13-7-8-14-26(24)34-29/h1-14,28,33-34H,15-21H2,(H,32,37)
InChIKeyGWLHBCIFYDRCEJ-UHFFFAOYSA-N
XLogP4.08
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-1-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethanone
CID 110197533
2,2-dimethyl-1-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one
CID 110197708
(1-ethylpyrazol-3-yl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
CID 110197556
spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane]
CID 10083666
1'-(3-phenoxypropyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]
CID 126472040
N-(2-morpholin-4-yl-2-oxoethyl)-2,2-diphenylacetamide
CID 110712346
spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-thiane]
CID 10332756
1-(2-oxopropyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
CID 171976095
1-[4'-[dimethylamino(phenyl)methyl]spiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,1'-cyclohexane]-2-yl]propan-1-one
CID 66771810
3-methyl-5-oxo-5-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpentanoic acid
CID 126473402
acetic acid;3-amino-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one
CID 154916173
4'-(2-methylbutan-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]
CID 2415714

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-2-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethyl)-2,2-diphenylacetamide?
The IUPAC name of N-(2-oxo-2-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethyl)-2,2-diphenylacetamide (CID 42695534) is N-(2-oxo-2-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethyl)-2,2-diphenylacetamide.
What is the SMILES notation for N-(2-oxo-2-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethyl)-2,2-diphenylacetamide?
The canonical SMILES for N-(2-oxo-2-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethyl)-2,2-diphenylacetamide is O=C(NCC(=O)N1CCC2(CC1)NCCc1c2[nH]c2ccccc12)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-oxo-2-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethyl)-2,2-diphenylacetamide?
The InChIKey is GWLHBCIFYDRCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O2/c36-27(21-32-30(37)28(22-9-3-1-4-10-22)23-11-5-2-6-12-23)35-19-16-31(17-20-35)29-25(15-18-33-31)24-13-7-8-14-26(24)34-29/h1-14,28,33-34H,15-21H2,(H,32,37).
What are the key properties of N-(2-oxo-2-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethyl)-2,2-diphenylacetamide?
N-(2-oxo-2-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethyl)-2,2-diphenylacetamide has a molecular weight of 492.62 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-2-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethyl)-2,2-diphenylacetamide is sourced from PubChem (CID 42695534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).