1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(dimethylamino)quinolin-6-yl]piperidine-4-carboxamide

C26H30N4O3S — CID 162523033

IUPAC1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(dimethylamino)quinolin-6-yl]piperidine-4-carboxamide
SMILESCN(C)c1ccc2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)ccc2n1
InChIInChI=1S/C26H30N4O3S/c1-29(2)25-11-7-21-16-22(8-10-24(21)28-25)27-26(31)19-12-14-30(15-13-19)34(32,33)23-9-6-18-4-3-5-20(18)17-23/h6-11,16-17,19H,3-5,12-15H2,1-2H3,(H,27,31)
InChIKeySRXVTJSONUMVCL-UHFFFAOYSA-N
MW478.62 g/mol
LogP3.83
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(dimethylamino)quinolin-6-yl]piperidine-4-carboxamide

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(dimethylamino)quinolin-6-yl]piperidine-4-carboxamide (PubChem CID 162523033) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(dimethylamino)quinolin-6-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(dimethylamino)quinolin-6-yl]piperidine-4-carboxamide
PubChem CID162523033
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(dimethylamino)quinolin-6-yl]piperidine-4-carboxamide
SMILESCN(C)c1ccc2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)ccc2n1
InChIInChI=1S/C26H30N4O3S/c1-29(2)25-11-7-21-16-22(8-10-24(21)28-25)27-26(31)19-12-14-30(15-13-19)34(32,33)23-9-6-18-4-3-5-20(18)17-23/h6-11,16-17,19H,3-5,12-15H2,1-2H3,(H,27,31)
InChIKeySRXVTJSONUMVCL-UHFFFAOYSA-N
XLogP3.83
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(dimethylamino)quinolin-6-yl]piperidine-4-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

N-[4-(methylcarbamoylamino)phenyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 46518214
N-(4-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 30844732
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-pyridin-3-ylpiperidine-4-carboxamide
CID 30859604
N-(4-chloro-3-nitrophenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 55363434
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylsulfonylpiperidine-4-carboxamide
CID 146154894
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-hydroxypiperidine-4-carboxamide
CID 25358979
N-(2,3-dihydro-1H-inden-5-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 1432061
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 8903061
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]piperidine-4-carboxamide
CID 55817763
N-tert-butyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 51175570
N-[3-(propylcarbamoyl)phenyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 55705618
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(2-methylbenzoyl)piperidine-4-carbohydrazide
CID 46807195

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(dimethylamino)quinolin-6-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(dimethylamino)quinolin-6-yl]piperidine-4-carboxamide (CID 162523033) is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(dimethylamino)quinolin-6-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(dimethylamino)quinolin-6-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(dimethylamino)quinolin-6-yl]piperidine-4-carboxamide is CN(C)c1ccc2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)ccc2n1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(dimethylamino)quinolin-6-yl]piperidine-4-carboxamide?
The InChIKey is SRXVTJSONUMVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S/c1-29(2)25-11-7-21-16-22(8-10-24(21)28-25)27-26(31)19-12-14-30(15-13-19)34(32,33)23-9-6-18-4-3-5-20(18)17-23/h6-11,16-17,19H,3-5,12-15H2,1-2H3,(H,27,31).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(dimethylamino)quinolin-6-yl]piperidine-4-carboxamide?
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(dimethylamino)quinolin-6-yl]piperidine-4-carboxamide has a molecular weight of 478.62 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(dimethylamino)quinolin-6-yl]piperidine-4-carboxamide is sourced from PubChem (CID 162523033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).