N-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide

C19H29N5O4S — CID 153443796

IUPACN-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide
SMILESNC1CCN(S(=O)(=O)N2C3CCC2CC(NC(=O)c2cc(C4CC4)no2)C3)CC1
InChIInChI=1S/C19H29N5O4S/c20-13-5-7-23(8-6-13)29(26,27)24-15-3-4-16(24)10-14(9-15)21-19(25)18-11-17(22-28-18)12-1-2-12/h11-16H,1-10,20H2,(H,21,25)
InChIKeyXOTIKZTWFWGCEB-UHFFFAOYSA-N
MW423.54 g/mol
LogP0.95
Rot. Bonds5

About N-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide

N-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide (PubChem CID 153443796) has the molecular formula C19H29N5O4S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide
PubChem CID153443796
Molecular FormulaC19H29N5O4S
Molecular Weight423.54 g/mol
Exact Mass423.19
IUPAC NameN-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide
SMILESNC1CCN(S(=O)(=O)N2C3CCC2CC(NC(=O)c2cc(C4CC4)no2)C3)CC1
InChIInChI=1S/C19H29N5O4S/c20-13-5-7-23(8-6-13)29(26,27)24-15-3-4-16(24)10-14(9-15)21-19(25)18-11-17(22-28-18)12-1-2-12/h11-16H,1-10,20H2,(H,21,25)
InChIKeyXOTIKZTWFWGCEB-UHFFFAOYSA-N
XLogP0.95
TPSA121.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-ethylpyridazine-3-carboxamide
CID 153443793
N-[(1S,5R)-8-(8-azaspiro[4.5]decan-8-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 161049537
5-cyclopropyl-N-[(1R,5S)-8-[4-(5,5,5-trifluoropentyl)piperidin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide
CID 148576255
tert-butyl N-[1-[[(1R,5S)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]piperidin-4-yl]carbamate
CID 118947331
N-[(1S,5R)-8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-6-fluoro-2-oxo-1,3-dihydroindole-5-carboxamide
CID 127045843
3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide
CID 92569564
N-[(1S,5S)-8-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide
CID 177148687
N-[(1R,5S)-8-[(2-iodo-2,7-diazaspiro[3.4]octan-7-yl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide
CID 177148490
N-[8-[[3-(2-hydroxyethylamino)-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide
CID 177148443
N-[1-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)azetidin-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide
CID 154794350
3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide
CID 92568609
N-(oxan-3-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 110228833

Frequently Asked Questions

What is the IUPAC name of N-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide (CID 153443796) is N-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide is NC1CCN(S(=O)(=O)N2C3CCC2CC(NC(=O)c2cc(C4CC4)no2)C3)CC1.
What is the InChIKey of N-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide?
The InChIKey is XOTIKZTWFWGCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O4S/c20-13-5-7-23(8-6-13)29(26,27)24-15-3-4-16(24)10-14(9-15)21-19(25)18-11-17(22-28-18)12-1-2-12/h11-16H,1-10,20H2,(H,21,25).
What are the key properties of N-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide?
N-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(4-aminopiperidin-1-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 153443796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).