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

C26H35N3O3S — CID 17478368

IUPAC1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(dimethylamino)-3-phenylpropyl]piperidine-4-carboxamide
SMILESCN(C)C(CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)Cc1ccccc1
InChIInChI=1S/C26H35N3O3S/c1-28(2)24(17-20-7-4-3-5-8-20)19-27-26(30)22-13-15-29(16-14-22)33(31,32)25-12-11-21-9-6-10-23(21)18-25/h3-5,7-8,11-12,18,22,24H,6,9-10,13-17,19H2,1-2H3,(H,27,30)
InChIKeyYFXZADRDCFRLHG-UHFFFAOYSA-N
MW469.65 g/mol
LogP2.87
Rot. Bonds8

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

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(dimethylamino)-3-phenylpropyl]piperidine-4-carboxamide (PubChem CID 17478368) has the molecular formula C26H35N3O3S and a molecular weight of 469.65 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(dimethylamino)-3-phenylpropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(dimethylamino)-3-phenylpropyl]piperidine-4-carboxamide
PubChem CID17478368
Molecular FormulaC26H35N3O3S
Molecular Weight469.65 g/mol
Exact Mass469.24
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(dimethylamino)-3-phenylpropyl]piperidine-4-carboxamide
SMILESCN(C)C(CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)Cc1ccccc1
InChIInChI=1S/C26H35N3O3S/c1-28(2)24(17-20-7-4-3-5-8-20)19-27-26(30)22-13-15-29(16-14-22)33(31,32)25-12-11-21-9-6-10-23(21)18-25/h3-5,7-8,11-12,18,22,24H,6,9-10,13-17,19H2,1-2H3,(H,27,30)
InChIKeyYFXZADRDCFRLHG-UHFFFAOYSA-N
XLogP2.87
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.65
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide
CID 27798668
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-4-carboxamide
CID 120653739
N-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 119385439
N-[2-(benzenesulfonyl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 55733985
N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8794882
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]piperidine-4-carboxamide
CID 46400310
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 30859107
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylsulfonylpiperidine-4-carboxamide
CID 146154894
N-(3-methyl-2-morpholin-4-ylbutyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 43043566
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-hydroxypiperidine-4-carboxamide
CID 25358979
N-[2-(methylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 119502196
N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 30470697

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(dimethylamino)-3-phenylpropyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(dimethylamino)-3-phenylpropyl]piperidine-4-carboxamide (CID 17478368) is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(dimethylamino)-3-phenylpropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(dimethylamino)-3-phenylpropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(dimethylamino)-3-phenylpropyl]piperidine-4-carboxamide is CN(C)C(CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)Cc1ccccc1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(dimethylamino)-3-phenylpropyl]piperidine-4-carboxamide?
The InChIKey is YFXZADRDCFRLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3S/c1-28(2)24(17-20-7-4-3-5-8-20)19-27-26(30)22-13-15-29(16-14-22)33(31,32)25-12-11-21-9-6-10-23(21)18-25/h3-5,7-8,11-12,18,22,24H,6,9-10,13-17,19H2,1-2H3,(H,27,30).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(dimethylamino)-3-phenylpropyl]piperidine-4-carboxamide?
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(dimethylamino)-3-phenylpropyl]piperidine-4-carboxamide has a molecular weight of 469.65 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(dimethylamino)-3-phenylpropyl]piperidine-4-carboxamide is sourced from PubChem (CID 17478368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).