1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide

C27H34FN3O3S — CID 55960055

IUPAC1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C27H34FN3O3S/c28-24-7-4-20(5-8-24)19-30-14-12-25(13-15-30)29-27(32)22-10-16-31(17-11-22)35(33,34)26-9-6-21-2-1-3-23(21)18-26/h4-9,18,22,25H,1-3,10-17,19H2,(H,29,32)
InChIKeyIMFBUNCINCUMDP-UHFFFAOYSA-N
MW499.65 g/mol
LogP3.50
Rot. Bonds6

About 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 55960055) has the molecular formula C27H34FN3O3S and a molecular weight of 499.65 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
PubChem CID55960055
Molecular FormulaC27H34FN3O3S
Molecular Weight499.65 g/mol
Exact Mass499.23
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C27H34FN3O3S/c28-24-7-4-20(5-8-24)19-30-14-12-25(13-15-30)29-27(32)22-10-16-31(17-11-22)35(33,34)26-9-6-21-2-1-3-23(21)18-26/h4-9,18,22,25H,1-3,10-17,19H2,(H,29,32)
InChIKeyIMFBUNCINCUMDP-UHFFFAOYSA-N
XLogP3.50
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.65
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 27673196
1-(2,5-difluorophenyl)sulfonyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 55960697
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-hydroxypiperidine-4-carboxamide
CID 25358979
N-(2,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 30854662
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylsulfonylpiperidine-4-carboxamide
CID 146154894
1-[(4-fluorophenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazolidin-2-one
CID 53083145
N-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 119385439
N-(3-piperidin-1-ylpropyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 27743802
N-tert-butyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 51175570
N-[2-(methylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 119502196
N-(1-amino-2-methylpropan-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide;hydrochloride
CID 119523274

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide (CID 55960055) is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide is O=C(NC1CCN(Cc2ccc(F)cc2)CC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is IMFBUNCINCUMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN3O3S/c28-24-7-4-20(5-8-24)19-30-14-12-25(13-15-30)29-27(32)22-10-16-31(17-11-22)35(33,34)26-9-6-21-2-1-3-23(21)18-26/h4-9,18,22,25H,1-3,10-17,19H2,(H,29,32).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 499.65 g/mol, XLogP of 3.50, 6 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-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 55960055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).