N-[(2S)-2-(3,4-dichlorophenyl)-4-oxo-4-spiro[indene-1,4'-piperidine]-2-ylbutyl]-N-methylbenzamide

C31H30Cl2N2O2 — CID 57167113

IUPACN-[(2S)-2-(3,4-dichlorophenyl)-4-oxo-4-spiro[indene-1,4'-piperidine]-2-ylbutyl]-N-methylbenzamide
SMILESCN(C[C@@H](CC(=O)C1=Cc2ccccc2C12CCNCC2)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
InChIInChI=1S/C31H30Cl2N2O2/c1-35(30(37)21-7-3-2-4-8-21)20-24(22-11-12-27(32)28(33)18-22)19-29(36)26-17-23-9-5-6-10-25(23)31(26)13-15-34-16-14-31/h2-12,17-18,24,34H,13-16,19-20H2,1H3/t24-/m1/s1
InChIKeyLNJUOIYMBYVJRW-XMMPIXPASA-N
MW533.50 g/mol
LogP6.53
Rot. Bonds7

About N-[(2S)-2-(3,4-dichlorophenyl)-4-oxo-4-spiro[indene-1,4'-piperidine]-2-ylbutyl]-N-methylbenzamide

N-[(2S)-2-(3,4-dichlorophenyl)-4-oxo-4-spiro[indene-1,4'-piperidine]-2-ylbutyl]-N-methylbenzamide (PubChem CID 57167113) has the molecular formula C31H30Cl2N2O2 and a molecular weight of 533.50 g/mol. Its IUPAC name is N-[(2S)-2-(3,4-dichlorophenyl)-4-oxo-4-spiro[indene-1,4'-piperidine]-2-ylbutyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(3,4-dichlorophenyl)-4-oxo-4-spiro[indene-1,4'-piperidine]-2-ylbutyl]-N-methylbenzamide
PubChem CID57167113
Molecular FormulaC31H30Cl2N2O2
Molecular Weight533.50 g/mol
Exact Mass532.17
IUPAC NameN-[(2S)-2-(3,4-dichlorophenyl)-4-oxo-4-spiro[indene-1,4'-piperidine]-2-ylbutyl]-N-methylbenzamide
SMILESCN(C[C@@H](CC(=O)C1=Cc2ccccc2C12CCNCC2)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
InChIInChI=1S/C31H30Cl2N2O2/c1-35(30(37)21-7-3-2-4-8-21)20-24(22-11-12-27(32)28(33)18-22)19-29(36)26-17-23-9-5-6-10-25(23)31(26)13-15-34-16-14-31/h2-12,17-18,24,34H,13-16,19-20H2,1H3/t24-/m1/s1
InChIKeyLNJUOIYMBYVJRW-XMMPIXPASA-N
XLogP6.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.50
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-2-(3,4-dichlorophenyl)-4-oxo-4-spiro[indene-1,4'-piperidine]-2-ylbutyl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-2-(3,4-dichlorophenyl)-4-spiro[indene-1,4'-piperidine]-2-ylbutyl]-N,3-dimethylbenzamide
CID 57051966
N-[(2S)-2-(3,4-dichlorophenyl)-4-spiro[indene-3,4'-piperidine]-1-ylbutyl]-N,3-dimethylbenzamide
CID 67598219
N-[(2S)-2-(3,4-dichlorophenyl)-4-spiro[indene-3,4'-piperidine]-1-ylbutyl]-N,3,5-trimethylbenzamide
CID 67597887
N-[2-(3,4-dichlorophenyl)propyl]-N-methylbenzamide
CID 22405750
N-[2-(3,4-dichlorophenyl)pentyl]-N-methylbenzamide;6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 54128577
N-[(2S)-2-(3,4-dichlorophenyl)-4-(3-oxospiro[2H-indene-1,4'-piperidine]-2-yl)butyl]-N,3,5-trimethylbenzamide
CID 18396829
N-[2-(3,4-dichlorophenyl)-4-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzamide
CID 19366950
4-[2-[3-(3,4-dichlorophenyl)-4-[methyl-(4-phenylbenzoyl)amino]butyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide
CID 91110582
N-[2-(3,4-dichlorophenyl)but-3-enyl]-N-methylbenzamide
CID 19066418
N-[4-[4-[benzoyl-(1-methylpiperidin-4-yl)amino]piperidin-1-yl]-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
CID 69113639
N-[4-[4-[benzoyl(cyclohexyl)amino]piperidin-1-yl]-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
CID 69113868
N-[2-(3,4-dichlorophenyl)-4-(oxan-2-yloxy)butyl]-N-methylbenzamide
CID 22137536

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3,4-dichlorophenyl)-4-oxo-4-spiro[indene-1,4'-piperidine]-2-ylbutyl]-N-methylbenzamide?
The IUPAC name of N-[(2S)-2-(3,4-dichlorophenyl)-4-oxo-4-spiro[indene-1,4'-piperidine]-2-ylbutyl]-N-methylbenzamide (CID 57167113) is N-[(2S)-2-(3,4-dichlorophenyl)-4-oxo-4-spiro[indene-1,4'-piperidine]-2-ylbutyl]-N-methylbenzamide.
What is the SMILES notation for N-[(2S)-2-(3,4-dichlorophenyl)-4-oxo-4-spiro[indene-1,4'-piperidine]-2-ylbutyl]-N-methylbenzamide?
The canonical SMILES for N-[(2S)-2-(3,4-dichlorophenyl)-4-oxo-4-spiro[indene-1,4'-piperidine]-2-ylbutyl]-N-methylbenzamide is CN(C[C@@H](CC(=O)C1=Cc2ccccc2C12CCNCC2)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1.
What is the InChIKey of N-[(2S)-2-(3,4-dichlorophenyl)-4-oxo-4-spiro[indene-1,4'-piperidine]-2-ylbutyl]-N-methylbenzamide?
The InChIKey is LNJUOIYMBYVJRW-XMMPIXPASA-N. The full InChI is InChI=1S/C31H30Cl2N2O2/c1-35(30(37)21-7-3-2-4-8-21)20-24(22-11-12-27(32)28(33)18-22)19-29(36)26-17-23-9-5-6-10-25(23)31(26)13-15-34-16-14-31/h2-12,17-18,24,34H,13-16,19-20H2,1H3/t24-/m1/s1.
What are the key properties of N-[(2S)-2-(3,4-dichlorophenyl)-4-oxo-4-spiro[indene-1,4'-piperidine]-2-ylbutyl]-N-methylbenzamide?
N-[(2S)-2-(3,4-dichlorophenyl)-4-oxo-4-spiro[indene-1,4'-piperidine]-2-ylbutyl]-N-methylbenzamide has a molecular weight of 533.50 g/mol, XLogP of 6.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3,4-dichlorophenyl)-4-oxo-4-spiro[indene-1,4'-piperidine]-2-ylbutyl]-N-methylbenzamide is sourced from PubChem (CID 57167113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).