1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]piperidine-3-carboxamide

C24H28Cl2N2O3S — CID 133188957

IUPAC1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1)c1ccc2c(c1)CCC2
InChIInChI=1S/C24H28Cl2N2O3S/c1-16(18-11-10-17-5-2-6-19(17)13-18)27-24(29)20-7-4-12-28(14-20)32(30,31)15-21-22(25)8-3-9-23(21)26/h3,8-11,13,16,20H,2,4-7,12,14-15H2,1H3,(H,27,29)
InChIKeyHBLNZIBWKFSQPA-UHFFFAOYSA-N
MW495.47 g/mol
LogP4.90
Rot. Bonds6

About 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]piperidine-3-carboxamide

1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]piperidine-3-carboxamide (PubChem CID 133188957) has the molecular formula C24H28Cl2N2O3S and a molecular weight of 495.47 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]piperidine-3-carboxamide
PubChem CID133188957
Molecular FormulaC24H28Cl2N2O3S
Molecular Weight495.47 g/mol
Exact Mass494.12
IUPAC Name1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1)c1ccc2c(c1)CCC2
InChIInChI=1S/C24H28Cl2N2O3S/c1-16(18-11-10-17-5-2-6-19(17)13-18)27-24(29)20-7-4-12-28(14-20)32(30,31)15-21-22(25)8-3-9-23(21)26/h3,8-11,13,16,20H,2,4-7,12,14-15H2,1H3,(H,27,29)
InChIKeyHBLNZIBWKFSQPA-UHFFFAOYSA-N
XLogP4.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.47
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]piperidine-3-carboxamide 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

(3S)-1-[(3-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]piperidine-3-carboxamide
CID 125078836
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 133185942
(3S)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[(1R)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 28635945
(3R)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 28635944
(3S)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide
CID 125064514
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 133185941
(3S)-1-(3-phenylpropylsulfonyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide
CID 125077423
(3S)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-3-carboxamide
CID 125087730
(3S)-1-[(4-chlorophenyl)methylsulfonyl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-3-carboxamide
CID 125086257
(3S)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-3-carboxamide
CID 125088254
(3S)-1-[(3-chlorophenyl)methylsulfonyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 124561555
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 53282722

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]piperidine-3-carboxamide (CID 133188957) is 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]piperidine-3-carboxamide is CC(NC(=O)C1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is HBLNZIBWKFSQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N2O3S/c1-16(18-11-10-17-5-2-6-19(17)13-18)27-24(29)20-7-4-12-28(14-20)32(30,31)15-21-22(25)8-3-9-23(21)26/h3,8-11,13,16,20H,2,4-7,12,14-15H2,1H3,(H,27,29).
What are the key properties of 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]piperidine-3-carboxamide?
1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 495.47 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 133188957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).