N-[2-(3,4-dichlorophenyl)-4-[1-(2,2-dimethylpropanoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]butyl]-N,3,5-trimethylbenzamide

C37H45Cl2N3O2 — CID 19366958

IUPACN-[2-(3,4-dichlorophenyl)-4-[1-(2,2-dimethylpropanoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]butyl]-N,3,5-trimethylbenzamide
SMILESCc1cc(C)cc(C(=O)N(C)CC(CCN2CCC3(CC2)CN(C(=O)C(C)(C)C)c2ccccc23)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C37H45Cl2N3O2/c1-25-19-26(2)21-29(20-25)34(43)40(6)23-28(27-11-12-31(38)32(39)22-27)13-16-41-17-14-37(15-18-41)24-42(35(44)36(3,4)5)33-10-8-7-9-30(33)37/h7-12,19-22,28H,13-18,23-24H2,1-6H3
InChIKeyXFCFPSLJJJQQME-UHFFFAOYSA-N
MW634.69 g/mol
LogP8.28
Rot. Bonds7

About N-[2-(3,4-dichlorophenyl)-4-[1-(2,2-dimethylpropanoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]butyl]-N,3,5-trimethylbenzamide

N-[2-(3,4-dichlorophenyl)-4-[1-(2,2-dimethylpropanoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]butyl]-N,3,5-trimethylbenzamide (PubChem CID 19366958) has the molecular formula C37H45Cl2N3O2 and a molecular weight of 634.69 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-4-[1-(2,2-dimethylpropanoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]butyl]-N,3,5-trimethylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-4-[1-(2,2-dimethylpropanoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]butyl]-N,3,5-trimethylbenzamide
PubChem CID19366958
Molecular FormulaC37H45Cl2N3O2
Molecular Weight634.69 g/mol
Exact Mass633.29
IUPAC NameN-[2-(3,4-dichlorophenyl)-4-[1-(2,2-dimethylpropanoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]butyl]-N,3,5-trimethylbenzamide
SMILESCc1cc(C)cc(C(=O)N(C)CC(CCN2CCC3(CC2)CN(C(=O)C(C)(C)C)c2ccccc23)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C37H45Cl2N3O2/c1-25-19-26(2)21-29(20-25)34(43)40(6)23-28(27-11-12-31(38)32(39)22-27)13-16-41-17-14-37(15-18-41)24-42(35(44)36(3,4)5)33-10-8-7-9-30(33)37/h7-12,19-22,28H,13-18,23-24H2,1-6H3
InChIKeyXFCFPSLJJJQQME-UHFFFAOYSA-N
XLogP8.28
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.69
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-(2-aminoacetyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-2-(3,4-dichlorophenyl)butyl]-N,3,5-trimethylbenzamide
CID 19366917
N-[2-(3,4-dichlorophenyl)-4-(1-methylsulfinylspiro[2H-indole-3,4'-piperidine]-1'-yl)butyl]-N,3,5-trimethylbenzamide
CID 67760504
N-[(2S)-4-[(2S)-1-acetyl-2-methylspiro[2H-indole-3,4'-piperidine]-1'-yl]-2-(3,4-dichlorophenyl)butyl]-N,3,5-trimethylbenzamide
CID 54074425
N-[(2S)-4-(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylnaphthalene-1-carboxamide
CID 18392632
N-[(2S)-2-(3,4-dichlorophenyl)-4-(5-methyl-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)butyl]-N,3,5-trimethylbenzamide
CID 18392650
N-[(2S)-2-(3,4-dichlorophenyl)-4-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)butyl]-4-fluoro-N-methylbenzamide
CID 18392692
N-[(2S)-2-(3,4-dichlorophenyl)-4-(5-methoxy-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)butyl]-N,3,5-trimethylbenzamide
CID 18392649
3,5-dichloro-N-[(2S)-2-(3,4-dichlorophenyl)-4-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide
CID 18392640
N-[2-(3,4-dichlorophenyl)-4-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide
CID 19366950
N-[4-(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-(3,4-difluorophenyl)butyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 19367083
3-chloro-N-[2-(3,4-dichlorophenyl)-4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide
CID 10507025
N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]butyl]-N,3,5-trimethylbenzamide
CID 22870201

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-4-[1-(2,2-dimethylpropanoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]butyl]-N,3,5-trimethylbenzamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-4-[1-(2,2-dimethylpropanoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]butyl]-N,3,5-trimethylbenzamide (CID 19366958) is N-[2-(3,4-dichlorophenyl)-4-[1-(2,2-dimethylpropanoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]butyl]-N,3,5-trimethylbenzamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-4-[1-(2,2-dimethylpropanoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]butyl]-N,3,5-trimethylbenzamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-4-[1-(2,2-dimethylpropanoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]butyl]-N,3,5-trimethylbenzamide is Cc1cc(C)cc(C(=O)N(C)CC(CCN2CCC3(CC2)CN(C(=O)C(C)(C)C)c2ccccc23)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-4-[1-(2,2-dimethylpropanoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]butyl]-N,3,5-trimethylbenzamide?
The InChIKey is XFCFPSLJJJQQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H45Cl2N3O2/c1-25-19-26(2)21-29(20-25)34(43)40(6)23-28(27-11-12-31(38)32(39)22-27)13-16-41-17-14-37(15-18-41)24-42(35(44)36(3,4)5)33-10-8-7-9-30(33)37/h7-12,19-22,28H,13-18,23-24H2,1-6H3.
What are the key properties of N-[2-(3,4-dichlorophenyl)-4-[1-(2,2-dimethylpropanoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]butyl]-N,3,5-trimethylbenzamide?
N-[2-(3,4-dichlorophenyl)-4-[1-(2,2-dimethylpropanoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]butyl]-N,3,5-trimethylbenzamide has a molecular weight of 634.69 g/mol, XLogP of 8.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-4-[1-(2,2-dimethylpropanoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]butyl]-N,3,5-trimethylbenzamide is sourced from PubChem (CID 19366958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).