4-(tert-butylsulfonylamino)-N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]piperidine-1-carboxamide

C22H35FN4O4S — CID 20629400

IUPAC4-(tert-butylsulfonylamino)-N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]piperidine-1-carboxamide
SMILESCC1CN(c2cc(F)ccc2NC(=O)N2CCC(NS(=O)(=O)C(C)(C)C)CC2)CC(C)O1
InChIInChI=1S/C22H35FN4O4S/c1-15-13-27(14-16(2)31-15)20-12-17(23)6-7-19(20)24-21(28)26-10-8-18(9-11-26)25-32(29,30)22(3,4)5/h6-7,12,15-16,18,25H,8-11,13-14H2,1-5H3,(H,24,28)
InChIKeyLXENHNPJBSZNOD-UHFFFAOYSA-N
MW470.61 g/mol
LogP3.15
Rot. Bonds4

About 4-(tert-butylsulfonylamino)-N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]piperidine-1-carboxamide

4-(tert-butylsulfonylamino)-N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]piperidine-1-carboxamide (PubChem CID 20629400) has the molecular formula C22H35FN4O4S and a molecular weight of 470.61 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]piperidine-1-carboxamide
PubChem CID20629400
Molecular FormulaC22H35FN4O4S
Molecular Weight470.61 g/mol
Exact Mass470.24
IUPAC Name4-(tert-butylsulfonylamino)-N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]piperidine-1-carboxamide
SMILESCC1CN(c2cc(F)ccc2NC(=O)N2CCC(NS(=O)(=O)C(C)(C)C)CC2)CC(C)O1
InChIInChI=1S/C22H35FN4O4S/c1-15-13-27(14-16(2)31-15)20-12-17(23)6-7-19(20)24-21(28)26-10-8-18(9-11-26)25-32(29,30)22(3,4)5/h6-7,12,15-16,18,25H,8-11,13-14H2,1-5H3,(H,24,28)
InChIKeyLXENHNPJBSZNOD-UHFFFAOYSA-N
XLogP3.15
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]piperidine-1-carboxamide (CID 20629400) is 4-(tert-butylsulfonylamino)-N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]piperidine-1-carboxamide is CC1CN(c2cc(F)ccc2NC(=O)N2CCC(NS(=O)(=O)C(C)(C)C)CC2)CC(C)O1.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]piperidine-1-carboxamide?
The InChIKey is LXENHNPJBSZNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35FN4O4S/c1-15-13-27(14-16(2)31-15)20-12-17(23)6-7-19(20)24-21(28)26-10-8-18(9-11-26)25-32(29,30)22(3,4)5/h6-7,12,15-16,18,25H,8-11,13-14H2,1-5H3,(H,24,28).
What are the key properties of 4-(tert-butylsulfonylamino)-N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]piperidine-1-carboxamide?
4-(tert-butylsulfonylamino)-N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]piperidine-1-carboxamide has a molecular weight of 470.61 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]piperidine-1-carboxamide is sourced from PubChem (CID 20629400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).