N-cyclohexyl-5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide

C28H37N3O — CID 23909492

IUPACN-cyclohexyl-5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCc1cccc(CN2CCC3(CC2)CN(C(=O)NC2CCCCC2)c2ccc(C)cc23)c1
InChIInChI=1S/C28H37N3O/c1-21-7-6-8-23(17-21)19-30-15-13-28(14-16-30)20-31(26-12-11-22(2)18-25(26)28)27(32)29-24-9-4-3-5-10-24/h6-8,11-12,17-18,24H,3-5,9-10,13-16,19-20H2,1-2H3,(H,29,32)
InChIKeyKHABVIIKNSCSDA-UHFFFAOYSA-N
MW431.62 g/mol
LogP5.70
Rot. Bonds3

About N-cyclohexyl-5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide

N-cyclohexyl-5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 23909492) has the molecular formula C28H37N3O and a molecular weight of 431.62 g/mol. Its IUPAC name is N-cyclohexyl-5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID23909492
Molecular FormulaC28H37N3O
Molecular Weight431.62 g/mol
Exact Mass431.29
IUPAC NameN-cyclohexyl-5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCc1cccc(CN2CCC3(CC2)CN(C(=O)NC2CCCCC2)c2ccc(C)cc23)c1
InChIInChI=1S/C28H37N3O/c1-21-7-6-8-23(17-21)19-30-15-13-28(14-16-30)20-31(26-12-11-22(2)18-25(26)28)27(32)29-24-9-4-3-5-10-24/h6-8,11-12,17-18,24H,3-5,9-10,13-16,19-20H2,1-2H3,(H,29,32)
InChIKeyKHABVIIKNSCSDA-UHFFFAOYSA-N
XLogP5.70
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.62
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]butan-1-one
CID 23826004
1'-[(3-chlorophenyl)methyl]-N-ethyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23993427
(3-bromophenyl)-[5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
CID 23767030
N-(2,4-difluorophenyl)-5-fluoro-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23854299
3-[5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carbonyl]benzonitrile
CID 23990897
(4-tert-butylphenyl)-[5-fluoro-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
CID 23989041
4-[[1-(cyclopentanecarbonyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]benzonitrile
CID 23849632
1-[1'-[(3-chlorophenyl)methyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-3-phenylpropan-1-one
CID 23770953
[5-fluoro-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-naphthalen-2-ylmethanone
CID 23937588
(2R)-N-cyclopentyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266173
N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43918586
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of N-cyclohexyl-5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 23909492) is N-cyclohexyl-5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for N-cyclohexyl-5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide is Cc1cccc(CN2CCC3(CC2)CN(C(=O)NC2CCCCC2)c2ccc(C)cc23)c1.
What is the InChIKey of N-cyclohexyl-5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is KHABVIIKNSCSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O/c1-21-7-6-8-23(17-21)19-30-15-13-28(14-16-30)20-31(26-12-11-22(2)18-25(26)28)27(32)29-24-9-4-3-5-10-24/h6-8,11-12,17-18,24H,3-5,9-10,13-16,19-20H2,1-2H3,(H,29,32).
What are the key properties of N-cyclohexyl-5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
N-cyclohexyl-5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 431.62 g/mol, XLogP of 5.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 23909492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).