tert-butyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]amino]piperidine-1-carboxylate

C24H30N4O4S — CID 86696183

IUPACtert-butyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2ccc(-n3ccc4cc(S(C)(=O)=O)ccc43)nc2)CC1
InChIInChI=1S/C24H30N4O4S/c1-24(2,3)32-23(29)27-12-10-18(11-13-27)26-19-5-8-22(25-16-19)28-14-9-17-15-20(33(4,30)31)6-7-21(17)28/h5-9,14-16,18,26H,10-13H2,1-4H3
InChIKeyQUCWUGMMEPJQPC-UHFFFAOYSA-N
MW470.60 g/mol
LogP4.24
Rot. Bonds4

About tert-butyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]amino]piperidine-1-carboxylate

tert-butyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]amino]piperidine-1-carboxylate (PubChem CID 86696183) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is tert-butyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]amino]piperidine-1-carboxylate
PubChem CID86696183
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC Nametert-butyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2ccc(-n3ccc4cc(S(C)(=O)=O)ccc43)nc2)CC1
InChIInChI=1S/C24H30N4O4S/c1-24(2,3)32-23(29)27-12-10-18(11-13-27)26-19-5-8-22(25-16-19)28-14-9-17-15-20(33(4,30)31)6-7-21(17)28/h5-9,14-16,18,26H,10-13H2,1-4H3
InChIKeyQUCWUGMMEPJQPC-UHFFFAOYSA-N
XLogP4.24
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidine-1-carboxylate
CID 67632421
1-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-pyridinyl]indole-5-carboxylic acid
CID 67615447
tert-butyl 4-[[6-[5-(2-methylpropanoylamino)indol-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 67805344
tert-butyl 4-(quinolin-3-ylamino)piperidine-1-carboxylate
CID 67196651
tert-butyl 4-[[6-(2-fluoro-4-methylsulfonylanilino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 11698394
tert-butyl 4-[5-[(5-methylsulfonylindol-1-yl)methyl]pyrazin-2-yl]piperidine-1-carboxylate
CID 53341488
tert-butyl 4-[[7-(trifluoromethylsulfonyloxy)-1,8-naphthyridin-3-yl]amino]piperidine-1-carboxylate
CID 168978860
tert-butyl 4-[[6-[5-(3-methyl-2-oxobutyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate
CID 161459353
tert-butyl 4-[5-chloro-6-[(5-methylsulfonylindol-1-yl)methyl]-3-pyridinyl]piperidine-1-carboxylate
CID 50996948
tert-butyl 4-[[6-[5-(dimethylcarbamoyl)indol-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 67807780
5-methylsulfonyl-1-(5-piperidin-4-yloxy-2-pyridinyl)indole
CID 67616611
1-[5-[(1-cyclohexylpiperidin-4-yl)amino]-2-pyridinyl]-N,N-dimethylindole-5-carboxamide
CID 67608158

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]amino]piperidine-1-carboxylate (CID 86696183) is tert-butyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Nc2ccc(-n3ccc4cc(S(C)(=O)=O)ccc43)nc2)CC1.
What is the InChIKey of tert-butyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]amino]piperidine-1-carboxylate?
The InChIKey is QUCWUGMMEPJQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-24(2,3)32-23(29)27-12-10-18(11-13-27)26-19-5-8-22(25-16-19)28-14-9-17-15-20(33(4,30)31)6-7-21(17)28/h5-9,14-16,18,26H,10-13H2,1-4H3.
What are the key properties of tert-butyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]amino]piperidine-1-carboxylate has a molecular weight of 470.60 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 86696183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).